SCHEMBL9053617

SCHEMBL9053617

COc1c(Br)cc(Br)cc1-n1cccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
NQO2 P16083 1/20 0.34
TPMT P51580 1/20 0.32
TACR1 P25103 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
APOBEC3A P31941 1/20 0.31
HTT P42858 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
PRNP P04156 1/20 0.31

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
SCHEMBL8546980 0.84 ALOX15 (0.41) ALOX15ALOX12MEN1KMT2ANQO2
SCHEMBL301662 0.75 HSD17B10 (0.59) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL2095995 0.72 TUBB4A (0.37) MEN1KMT2AL3MBTL1POLBMAPT
SCHEMBL20201233 0.68 KDM4E (0.43) HSD17B10CA2MEN1KMT2ANQO2
SCHEMBL11216824 0.67 HSD17B10 (0.52) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL31034794 0.67 L3MBTL1 (0.42) KMT2ANQO2L3MBTL1MAPTTSHR
SCHEMBL3521150 0.66 HSD17B10 (0.50) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL17875684 0.66 HSD17B10 (0.50) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL9695064 0.66 TPMT (0.58) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL5946205 0.66 HSD17B10 (0.50) HSD17B10CA2CA4ALOX15ALOX12

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
EP-0693068-A1 PHENYLPYRROLE DERIVATIVES AND THEIR USE AS ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-01-24 EP disclosed
WO-1994024129-A1 PHENYLPYRROLE DERIVATIVES AND THEIR USE AS ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1994-10-27 WO disclosed