SCHEMBL29765

SCHEMBL29765

N#Cc1c[nH]cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.46
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 2/20 0.45
GALR3 O60755 1/20 0.45
MCL1 Q07820 2/20 0.44
ESR2 Q92731 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHUK O15111 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.39
GLA P06280 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10796898 0.82 CYP11B2 (0.42) ALDH1A1ESR2
SCHEMBL12670740 0.80 CHUK (0.43) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL9042765 0.80 LRRK2 (0.49) LRRK2ALDH1A1KDM4EHPGDGAA
SCHEMBL11937863 0.80 PDE3B (0.47) LRRK2KDM4EHPGDCYP2C19ADORA2A
SCHEMBL9200637 0.80 LRRK2 (0.49) LRRK2ALDH1A1KDM4EHPGDGAA
SCHEMBL25204106 0.79 ESR2 (0.41) LRRK2ALDH1A1KDM4EHPGDGAA
SCHEMBL23913 0.78 CHUK (0.48) LRRK2KDM4EHPGDESR2NPSR1
SCHEMBL10508390 0.78 LRRK2 (0.53) LRRK2ALDH1A1KDM4EHPGDGAA
SCHEMBL11937864 0.78 CYP11B2 (0.49) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL10504897 0.78 KDM4E (0.54) LRRK2ALDH1A1KDM4EHPGDGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 221 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835606-B1 Synergistic microbicidal compositions AGRASOL INC (US) 2000-08-16 EP claimed
EP-0835606-A1 Synergistic microbicidal compositions Novartis AG (CH) 1998-04-15 EP claimed
EP-0669804-A1 SYNERGISTIC MICROBICIDAL COMPOSITIONS Novartis AG (CH) 1995-09-06 EP claimed
WO-1994010845-A2 SYNERGISTIC MICROBICIDAL COMPOSITIONS CIBA-GEIGY AG (CH) 1994-05-26 WO claimed
EP-0392286-B1 3-Cyano-4-phenyl-pyrrole derivatives BAYER AG (DE) 1993-11-18 EP claimed
EP-0318704-B1 3-CYANO-4-PHENYL-PYRROLE DERIVATIVES BAYER AG (DE) 1992-12-02 EP claimed
EP-0339422-B1 3-CYANO-4-PHENYL-PYRROLE DERIVATIVES BAYER AG (DE) 1991-10-16 EP claimed
EP-0339417-B1 3-CYANO-4-PHENYL-PYRROLES BAYER AG (DE) 1991-09-11 EP claimed
EP-0433805-A1 N-Substituted 3-cyano-4-phenyl-pyrroles BAYER AG (DE) 1991-06-26 EP claimed
US-4977182-A Fungicidal 3-cyano-4-phenyl-pyrroles BAYER AKTIENGESELLSCHAFT (DE) 1990-12-11 US claimed
US-4963181-A Fungicidal 3-cyano-4-phenyl-pyrrole derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-10-16 US claimed
US-4960789-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US claimed
EP-0339422-A1 3-Cyano-4-phenyl-pyrrole derivatives BAYER AG (DE) 1989-11-02 EP claimed
EP-0339417-A1 3-Cyano-4-phenyl-pyrroles BAYER AG (DE) 1989-11-02 EP claimed
EP-0318704-A2 3-Cyano-4-phenyl-pyrrole derivatives BAYER AG (DE) 1989-06-07 EP claimed
EP-0315869-A2 3-Cyano-4-(2,4-difluor-3-phenyl)-pyrrole BAYER AG (DE) 1989-05-17 EP claimed
EP-0130149-B1 3-PHENYL-4-CYANOPYRROLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MICROBICIDES CIBA-GEIGY AG (CH) 1989-04-12 EP claimed
JP-5155879-A None JP disclosed
US-4229465-A FUNGICIDES NIPPON SODA COMPANY, LTD. (JP) 1980-10-21 US disclosed
JP-S5557508-A AGRICULTURAL AND HORTICULTURAL FUNGICIDE NIPPON SODA CO LTD 1980-04-28 JP disclosed