SCHEMBL9874857

SCHEMBL9874857

COc1cc(-c2ccccc2)sc1C(=O)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.53
TUBB P07437 3/20 0.53
TUBA3C P0DPH7 3/20 0.53
TUBA1B P68363 3/20 0.53
TUBA4A P68366 3/20 0.53
TUBB4B P68371 3/20 0.53
TUBB3 Q13509 3/20 0.53
TUBB2A Q13885 3/20 0.53
TUBB8 Q3ZCM7 3/20 0.53
TUBA3E Q6PEY2 3/20 0.53
TUBA1A Q71U36 3/20 0.53
TUBA1C Q9BQE3 3/20 0.53
TUBB6 Q9BUF5 3/20 0.53
TUBB2B Q9BVA1 3/20 0.53
TUBB1 Q9H4B7 3/20 0.53
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
MAPT P10636 8/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49

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
SCHEMBL10447802 0.89 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL9874861 0.87 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17341863 0.73 ALDH1A1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3067240 0.73 SMN1; SMN2 (0.36) HSD17B1HSD17B2MAPTKDM4EALDH1A1
SCHEMBL976271 0.72 MAPT (0.66) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL9826543 0.72 MAPT (0.56) MAPTKDM4EALDH1A1LMNARXFP1
SCHEMBL17343660 0.71 ALDH1A1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8325772 0.71 ERN1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9826504 0.71 MAPT (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9826618 0.71 MAPT (0.60) MAPTKDM4EALDH1A1LMNARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011928-A Analgesic and antiinflammatory derivatives of 1-acyl-4-arylalkylpiperazines FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMECEUTI COS S.A. (FAES) (ES) 1991-04-30 US disclosed
EP-0385043-A1 New derivatives of 4-substituted piperazines FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1990-09-05 EP disclosed