SCHEMBL6934022

SCHEMBL6934022

COc1ccc(C(=O)CSc2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
ALDH1A1 P00352 3/20 0.65
HTT P42858 2/20 0.65
HSD17B10 Q99714 1/20 0.65
MAPK1 P28482 5/20 0.62
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
RAB9A P51151 6/20 0.60
NPC1 O15118 6/20 0.60
TP53 P04637 2/20 0.60
GAA P10253 2/20 0.58
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55

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
SCHEMBL7769542 0.87 HDAC3 (0.65) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL28497894 0.81 NPC1 (0.63) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL28495995 0.80 ALDH1A1 (0.67) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL9787091 0.80 ALDH1A1 (0.59) MAPTALDH1A1HTTMAPK1LMNA
SCHEMBL3193858 0.80 ALDH1A1 (0.59) MAPTALDH1A1HTTMAPK1LMNA
SCHEMBL6838525 0.80 HDAC3 (0.60) ALDH1A1HTTLMNASMN1; SMN2RAB9A
SCHEMBL7637081 0.80 RAB9A (0.68) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL2395083 0.80 ALDH1A1 (0.65) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL10926166 0.79 NPC1 (0.59) MAPTALDH1A1HTTHSD17B10LMNA
SCHEMBL171415 0.79 SMN1; SMN2 (0.73) MAPTALDH1A1HTTHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756388-B1 HAVING PIPERIDINYL AND PHENOLIC FUNCTIONALITY; BONE LOSS; BREAST OR PROSTATE CANCER PFIZER INC. 2004-06-29 US disclosed
EP-0723537-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS ESTROGEN AGONISTS PFIZER INC. (US) 1996-07-31 EP disclosed
WO-1995010513-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS ESTROGEN AGONISTS PFIZER INC. (US) 1995-04-20 WO disclosed