SCHEMBL3627313

SCHEMBL3627313

O=C(O)c1cnn(-c2nccc(-c3ccccc3OCc3ccc(-c4ccc(Cl)cc4)cc3)n2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
PTGER1 P34995 5/20 0.42
ALKBH1 Q13686 1/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 3/20 0.40
CRHBP P24387 1/20 0.40
MC4R P32245 1/20 0.40
CRHR2 Q13324 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MCL1 Q07820 1/20 0.38
ATM Q13315 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL3626353 0.95 MAPT (0.44) RAB9AMEN1KMT2ANPC1PTGER1
SCHEMBL3616710 0.93 POLB (0.42) RAB9AMEN1KMT2ANPC1PTGER1
SCHEMBL3620278 0.90 RAB9A (0.50) RAB9AMEN1KMT2ANPC1PTGER1
SCHEMBL14952822 0.90 POLB (0.40) RAB9AMEN1KMT2ANPC1ALKBH1
SCHEMBL4000881 0.88 KEAP1 (0.50) RAB9AMEN1KMT2ANPC1PTGER1
SCHEMBL14952869 0.86 MEN1 (0.47) RAB9AMEN1KMT2ANPC1PTGER1
SCHEMBL3625402 0.86 MEN1 (0.41) RAB9AMEN1KMT2ANPC1PTGER1
SCHEMBL3626358 0.85 MAPT (0.44) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL3627409 0.83 POLB (0.39) RAB9AMEN1KMT2ANPC1ALKBH1
SCHEMBL3995334 0.82 KEAP1 (0.55) RAB9AMEN1KMT2ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO claimed
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed