SCHEMBL1010832

SCHEMBL1010832

CC(C(=O)O)c1c(N(C)C)nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc1N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
MCL1 Q07820 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
HTT P42858 2/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.42
TBXA2R P21731 1/20 0.42
PTGDR Q13258 1/20 0.42
PDE10A Q9Y233 1/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.40
PIN1 Q13526 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
SCHEMBL1010989 0.86 PTGDR2 (0.55) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL12569015 0.83 RAB9A (0.51) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL1009772 0.83 NR1H4 (0.48) RAB9AKMT2ANPC1MEN1NR1H4
SCHEMBL1009820 0.83 RAB9A (0.52) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL1009893 0.82 RAB9A (0.51) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL1227036 0.79 PTGDR2 (0.57) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL1226565 0.78 PTGDR2 (0.56) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL1010750 0.78 NR1H4 (0.50) RAB9AKMT2ANPC1MEN1NR1H4
SCHEMBL5961407 0.78 RAB9A (0.56) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL1226370 0.77 KMT2A (0.58) RAB9AKMT2ANPC1SMN1; SMN2MAPT

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
US-7960393-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
EP-1633726-B1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2011-01-05 EP disclosed