SCHEMBL6998977

SCHEMBL6998977

COC(=O)c1cc(-n2nncc2S(C)(=O)=O)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 7/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 4/20 0.38
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
USP7 Q93009 1/20 0.37
KDM4E B2RXH2 3/20 0.37
TSHR P16473 2/20 0.37
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
ALOX15 P16050 1/20 0.37
RECQL P46063 1/20 0.37
NR1I2 O75469 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL6998986 0.81 HSD11B1 (0.41) HSD11B1KMT2AMEN1MAPTALDH1A1
SCHEMBL7490694 0.81 LMNA (0.57) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6999956 0.80 HSD11B1 (0.49) HSD11B1KMT2AMEN1MAPTALDH1A1
SCHEMBL7628650 0.75 FGFR1 (0.42) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL7491054 0.72 LMNA (0.44) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6424614 0.71 TACR1 (0.47) ALDH1A1HPGDKDM4E
SCHEMBL6424185 0.71 TP53 (0.61) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL6998524 0.71 ALDH1A1 (0.57) KMT2AMAPTALDH1A1LMNAHPGD
SCHEMBL7491051 0.71 USP7 (0.39) KMT2AMAPTALDH1A1LMNAHPGD
SCHEMBL3220624 0.70 SMN1; SMN2 (0.57) KMT2AMEN1ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920425-B1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2003-02-19 EP disclosed
US-6211199-B1 HISTAMINE AND TACHYKININ RECEPTOR ANTAGONISTS; ANTIASTHMATICS, ANTIEMETICS; RESPIRATORY SYSTEM DISORDERS, INFLAMMATORY BOWEL DISEASE, CONJUNCTIVITIS AVENTIS PHARMACEUTICALS INC. 2001-04-03 US disclosed
EP-0920425-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-06-09 EP disclosed
WO-1997019074-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-05-29 WO disclosed