SCHEMBL8995335

SCHEMBL8995335

COc1ccc2[nH]c(-c3cccs3)c(C)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.56
ALDH1A1 P00352 7/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
MAPT P10636 6/20 0.53
KDM4E B2RXH2 5/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 2/20 0.53
GFER P55789 2/20 0.51
TSHR P16473 1/20 0.51
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48

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
SCHEMBL27543191 0.80 DRD2 (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL8856056 0.78 ALOX5 (0.68) ALOX5ALDH1A1MEN1KMT2AMAPT
SCHEMBL13436536 0.77 MTNR1A (0.71) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL2545860 0.77 TUBB4A (0.80) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3356338 0.77 ALOX5 (0.71) ALOX5ALDH1A1MEN1KMT2AMAPT
SCHEMBL7035552 0.75 PTGS2 (0.56) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL13399698 0.75 ALOX5 (0.68) ALOX5ALDH1A1MEN1KMT2AMAPT
SCHEMBL9208428 0.74 MEN1 (0.54) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7897979 0.74 CYP11B2 (0.66) ALOX5ALDH1A1MEN1KMT2AMAPT
SCHEMBL4374342 0.73 ALDH1A1 (0.68) ALOX5ALDH1A1MEN1KMT2AMAPT

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-5496844-A Indole derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-03-05 US disclosed
EP-0639567-A1 INDOLE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-02-22 EP disclosed