SCHEMBL1010960

SCHEMBL1010960

Cc1nc(Cc2ccc([N+](=O)[O-])cc2)nc(Cl)c1C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.39
EGLN1 Q9GZT9 2/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 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
SCHEMBL1009458 0.93 ACE (0.42) ACERAB9APOLBMAPTCYP1A2
SCHEMBL1923117 0.93 ACE (0.42) ACERAB9APOLBMAPTCYP1A2
SCHEMBL1010021 0.87 RAB9A (0.42) ACERAB9AGAAEGLN1POLB
SCHEMBL1010909 0.86 CYP2C19 (0.38) ACEPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL1922216 0.82 POLB (0.42) ACERAB9APOLBMAPTLMNA
SCHEMBL1066125 0.82 POLB (0.42) ACERAB9APOLBMAPTLMNA
SCHEMBL1010248 0.81 CASP1 (0.38) RAB9AGAAPOLBMAPTLMNA
SCHEMBL3443273 0.79 PTGDR2 (0.46) RAB9AGAAEGLN1POLBMAPT
SCHEMBL1922623 0.79 POLB (0.40) ACEPOLBCYP2C19KMT2A
SCHEMBL1010635 0.79 POLB (0.40) ACEPOLBCYP2C19KMT2A

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