SCHEMBL8041907

SCHEMBL8041907

c1ccc(CCn2c(Sc3nc(-c4ccccc4)cs3)nnc2-c2cccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
CPB1 P15086 1/20 0.43
USP2 O75604 4/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL8033974 0.93 LMNA (0.49) RAB9ANPC1TSHRSMN1; SMN2LMNA
SCHEMBL8046726 0.89 RAB9A (0.41) RAB9ANPC1TSHRSMN1; SMN2LMNA
SCHEMBL8033238 0.87 RAB9A (0.52) RAB9ANPC1TSHRSMN1; SMN2LMNA
SCHEMBL8050800 0.84 HTR1A (0.49) RAB9ANPC1TSHRSMN1; SMN2LMNA
SCHEMBL8043767 0.84 KDM4E (0.49) RAB9ANPC1TSHRSMN1; SMN2LMNA
SCHEMBL8048106 0.83 KDM4E (0.56) RAB9ANPC1TSHRSMN1; SMN2LMNA
SCHEMBL8043994 0.82 ALDH1A1 (0.53) RAB9ANPC1TSHRSMN1; SMN2LMNA
SCHEMBL8043113 0.82 RAB9A (0.48) RAB9ANPC1TSHRSMN1; SMN2LMNA
SCHEMBL8042512 0.81 RAB9A (0.50) RAB9ANPC1TSHRSMN1; SMN2LMNA
SCHEMBL8050920 0.81 RAB9A (0.39) RAB9ANPC1TSHRSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed