SCHEMBL6999956

SCHEMBL6999956

COC(=O)c1cc(-n2nncc2SC)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.49
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
USP7 Q93009 1/20 0.38
KDM4E B2RXH2 2/20 0.38
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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 0.82 HSD11B1 (0.41) HSD11B1MAPTALDH1A1HPGDLMNA
SCHEMBL6998977 0.80 HSD11B1 (0.39) HSD11B1MAPTALDH1A1HPGDLMNA
SCHEMBL7492978 0.78 ALDH1A1 (0.65) MAPTALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL7622825 0.73 ALDH1A1 (0.43) MAPTALDH1A1HPGDKMT2AHTT
SCHEMBL7491054 0.72 LMNA (0.44) MAPTALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL24220241 0.72 ALDH1A1 (0.39) HSD11B1MAPTALDH1A1KDM4EALOX15
SCHEMBL6424185 0.72 TP53 (0.61) MAPTALDH1A1HPGDMEN1TP53
SCHEMBL7490694 0.72 LMNA (0.57) MAPTALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL7491051 0.72 USP7 (0.39) MAPTALDH1A1HPGDLMNAKMT2A
SCHEMBL408239 0.71 ALDH1A1 (0.51) MAPTALDH1A1HPGDLMNASMN1; SMN2

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