SCHEMBL8320877

SCHEMBL8320877

O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
ROCK2 O75116 1/20 0.54
GRK2 P25098 1/20 0.54
TACR1 P25103 1/20 0.54
KMT2A Q03164 4/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
HPGD P15428 1/20 0.51
LDHA P00338 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 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
SCHEMBL4868681 0.89 POLB (0.54) POLBKMT2ANPC1RAB9AMAPT
SCHEMBL4872272 0.81 TACR1 (0.54) POLBTACR1KMT2ANPC1RAB9A
SCHEMBL14195576 0.80 ROCK2 (0.58) POLBROCK2GRK2KMT2AMAPT
SCHEMBL4873966 0.80 ROCK2 (0.64) ROCK2GRK2KMT2AMAPTMEN1
SCHEMBL1528458 0.80 MAPT (0.58) POLBKMT2ANPC1MAPTMEN1
SCHEMBL17803932 0.78 HPGD (0.58) GRK2KMT2ANPC1RAB9AMEN1
SCHEMBL14195573 0.78 ROCK2 (0.53) POLBROCK2GRK2KMT2AMAPT
SCHEMBL4872235 0.78 MEN1 (0.67) POLBROCK2TACR1KMT2ANPC1
SCHEMBL14195577 0.78 ROCK2 (0.53) POLBROCK2GRK2TACR1KMT2A
SCHEMBL4865829 0.75 TACR1 (0.57) POLBTACR1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
WO-2004060362-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-22 WO disclosed