SCHEMBL17004400

SCHEMBL17004400

O=C(Cc1cccnc1)N1CCC(c2ccc(Cl)s2)=N1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.46
FNTB P49356 8/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
CYP2A6 P11509 1/20 0.42
NAPRT Q6XQN6 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PARP4 Q9UKK3 1/20 0.37
PARP3 Q9Y6F1 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
SCHEMBL981256 0.82 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPT
SCHEMBL982599 0.81 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPT
SCHEMBL981671 0.79 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPTSIGMAR1
SCHEMBL17004382 0.79 ECE2 (0.50) ALDH1A1MEN1KMT2AMAPT
SCHEMBL979274 0.78 KMT2A (0.45) ALDH1A1MEN1KMT2AMAPTSIGMAR1
SCHEMBL979042 0.78 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPT
SCHEMBL981878 0.77 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPT
SCHEMBL979473 0.77 FNTA (0.49) FNTAFNTB
SCHEMBL982252 0.77 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL980088 0.77 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E

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
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP claimed
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP disclosed