SCHEMBL3444271

SCHEMBL3444271

CC(=O)Oc1cnc(C(C)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc1N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
CASP3 P42574 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
DEGS1 O15121 1/20 0.43
ENPP3 O14638 2/20 0.43
ENPP1 P22413 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DGAT1 O75907 5/20 0.43
KDM4E B2RXH2 1/20 0.43
NQO2 P16083 1/20 0.41
PLAU P00749 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CYP19A1 P11511 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
ENPP2 Q13822 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
SCHEMBL27656029 0.86 CTNNB1 (0.42) RAB9ANPC1KMT2A
SCHEMBL1008787 0.82 PTGDR2 (0.55) RAB9ANPC1CASP3SENP7DEGS1
SCHEMBL27656110 0.81 NR1H4 (0.47) RAB9ANPC1CASP3SENP7DEGS1
SCHEMBL1010884 0.70 PTGDR2 (0.52) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL1010339 0.69 NR1H4 (0.48) RAB9ANPC1CASP3SENP7DEGS1
SCHEMBL1008918 0.68 PTGDR2 (0.46) RAB9APTGDR2
SCHEMBL1010589 0.68 PTGDR2 (0.50) MAPTPTGDR2
SCHEMBL1011048 0.67 SMN1; SMN2 (0.48) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4330052 0.67 RAB9A (0.78) RAB9ANPC1CASP3SENP7DEGS1
SCHEMBL6017027 0.67 TBXA2R (0.48) RAB9ANPC1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101914065-A Help to treat pyrimidine derivatives by the disease of CRTH2 mediation ACTIMIS PHARMACEUTICALS INC 2010-12-15 CN claimed
US-7812160-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2010-10-12 US claimed
CN-1809539-A Pyrimidine derivatives useful in the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2006-07-26 CN claimed
CN-101914065-A Help to treat pyrimidine derivatives by the disease of CRTH2 mediation ACTIMIS PHARMACEUTICALS INC 2010-12-15 CN disclosed
CN-1809539-A Pyrimidine derivatives useful in the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2006-07-26 CN disclosed