SCHEMBL6967658

SCHEMBL6967658

CCc1cc(Br)c(CC)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
ALDH1A1 P00352 4/20 0.38
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SELE P16581 1/20 0.32
VCAM1 P19320 1/20 0.32
MAPK1 P28482 2/20 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
SCHEMBL12657390 0.88 USP2 (0.42) USP2ALDH1A1CASP3SENP8SENP7
SCHEMBL10088520 0.85 USP2 (0.47) USP2ALDH1A1CASP3SENP8SENP7
SCHEMBL18067936 0.81 USP2 (0.41) USP2ALDH1A1CASP3SENP8SENP7
SCHEMBL18067928 0.81 USP2 (0.34) USP2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL89027 0.78 USP2 (0.42) USP2ALDH1A1CASP3SENP8SENP7
SCHEMBL3253007 0.78
SCHEMBL14546650 0.76
SCHEMBL2225197 0.76
SCHEMBL89700 0.76 USP2 (0.41) USP2ALDH1A1CASP3SENP8SENP7
SCHEMBL15674985 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0954521-B1 4- (THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO MCNEIL PHARM INC (US) 2003-05-14 EP disclosed
EP-0954521-A1 4- (THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY Ortho-McNeil Pharmaceutical, Inc. (US) 1999-11-10 EP disclosed
US-5750720-A ALPHA-ADRENORECEPTORS AND CENTRAL NERVOUS SYSTEMS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-05-12 US disclosed
WO-1997035858-A1 4-[(THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING α2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1997-10-02 WO disclosed
EP-0002304-B1 METHOD OF PREPARING A 3-IODOTHIOPHENE Océ-Andeno B.V. (NL) 1982-09-29 EP disclosed
US-4169839-A REACTING 3-BROMOTHIOPHENE COMPOUND WITH COPPER IODIDE IN APROTIC SOLVENT OCE-ANDENO B.V. (NL) 1979-10-02 US disclosed
EP-0002304-A1 Method of preparing a 3-iodothiophene Océ-Andeno B.V. (NL) 1979-06-13 EP disclosed