SCHEMBL5044561

SCHEMBL5044561

COc1ccc(Nc2nc3cc([N+](=O)[O-])ccc3o2)c(Oc2ccccc2C(C)(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
C1R P00736 2/20 0.40
RECQL P46063 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SSTR5 P35346 1/20 0.38
MAOB P27338 1/20 0.37
CETP P11597 1/20 0.37
CEPT1 Q9Y6K0 1/20 0.37
P2RY1 P47900 2/20 0.37
ALPL P05186 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL5039604 0.82 P2RY1 (0.38) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL5436637 0.81 CSNK1D (0.43) NPC1RAB9AMAPTALDH1A1RECQL
SCHEMBL25297988 0.73 KMT2A (0.52) POLBNPC1RAB9AMAPTALDH1A1
SCHEMBL25292658 0.72 KMT2A (0.62) POLBNPC1RAB9AMAPTALDH1A1
SCHEMBL1307723 0.71 S1PR4 (0.47) RAB9AMAPTALDH1A1
SCHEMBL6482641 0.71 RAB9A (0.36) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL5032974 0.71 P2RY1 (0.57) P2RY1
SCHEMBL1308243 0.71 P2RY1 (0.57) P2RY1
SCHEMBL5028157 0.70 P2RY1 (0.56) P2RY1
SCHEMBL3476411 0.69 P2RY1 (0.63) P2RY1

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-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US claimed