SCHEMBL8042595

SCHEMBL8042595

Brc1nc(Sc2nnc(-c3cccs3)n2CCc2ccccc2)sc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 7/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CPB1 P15086 1/20 0.42
USP2 O75604 4/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 6/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
GALR3 O60755 1/20 0.40
ESR2 Q92731 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
SCHEMBL8033984 0.87 RAB9A (0.45) RAB9ANPC1TSHRLMNAHTT
SCHEMBL8043994 0.83 ALDH1A1 (0.53) RAB9ANPC1TSHRLMNAHTT
SCHEMBL8033238 0.82 RAB9A (0.52) RAB9ANPC1TSHRLMNAHTT
SCHEMBL8044904 0.82 TSHR (0.41) RAB9ANPC1TSHRLMNAHTT
SCHEMBL8046525 0.82 TSHR (0.49) RAB9ANPC1TSHRLMNAHTT
SCHEMBL8044988 0.81 KDM4E (0.58) RAB9ANPC1TSHRLMNASMN1; SMN2
SCHEMBL8042794 0.81 TSHR (0.59) TSHRHTTSMN1; SMN2MEN1KMT2A
SCHEMBL8042512 0.81 RAB9A (0.50) RAB9ANPC1TSHRLMNAHTT
SCHEMBL8041907 0.80 RAB9A (0.47) RAB9ANPC1TSHRLMNAHTT
SCHEMBL8048024 0.79 TSHR (0.43) RAB9ANPC1TSHRLMNAHTT

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