SCHEMBL8124142

SCHEMBL8124142

Clc1ccccc1-c1c(Cl)nc2ncnn2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.47
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.39
ENPP1 P22413 1/20 0.39
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PDE2A O00408 3/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.35
USP2 O75604 1/20 0.35
MBOAT4 Q96T53 1/20 0.34

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
SCHEMBL8118285 0.85 ALDH1A1 (0.38) EGLN2ALDH1A1LMNAENPP1KDM4E
SCHEMBL8124935 0.85 EGLN2 (0.44) EGLN2ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL8118491 0.82 KMT2A (0.41) ALDH1A1LMNAKDM4ESMN1; SMN2POLB
SCHEMBL868326 0.81 KDM4E (0.49) EGLN2ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL5420498 0.80 KMT2A (0.47) EGLN2ALDH1A1KDM4EPDE2APOLB
SCHEMBL4998515 0.80 KMT2A (0.44) ALDH1A1KDM4EPDE2APOLBMAPK1
SCHEMBL8916382 0.80 LMNA (0.41) EGLN2ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL8117996 0.79 KDM4E (0.47) EGLN2ALDH1A1LMNAENPP1KDM4E
SCHEMBL5236413 0.78 ALDH1A1 (0.40) EGLN2ALDH1A1LMNAENPP1SMN1; SMN2
SCHEMBL6993136 0.78 ALDH1A1 (0.43) EGLN2ALDH1A1ENPP1PDE2AUSP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0782997-B1 Triazolopyrimidine derivatives SHELL INT RESEARCH (NL) 2000-04-26 EP claimed
EP-0782997-A2 Triazolopyrimidine derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-07-09 EP claimed
EP-0782997-B1 Triazolopyrimidine derivatives SHELL INT RESEARCH (NL) 2000-04-26 EP disclosed
EP-0699200-B1 DIHALOTRIAZOLOPYRIMIDINE DERIVATIVES AS FUNGICIDES SHELL INT RESEARCH (NL) 1997-10-29 EP disclosed
US-5612345-A Dihalotriazolopyrimidine derivatives as fungicides SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1997-03-18 US disclosed