SCHEMBL7519932

SCHEMBL7519932

CCCCc1ccc(NC(=O)NN)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CNR1 P21554 1/20 0.46
EPHX1 P07099 4/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
CYP3A4 P08684 1/20 0.43
IDH1 O75874 1/20 0.43
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL7528869 0.92 MEN1 (0.48) EPHX2MEN1KMT2ACNR1EPHX1
SCHEMBL7523145 0.87 EPHX2 (0.51) EPHX2MEN1KMT2ACNR1EPHX1
SCHEMBL7515770 0.79 LMNA (0.49) EPHX2MEN1KMT2AEPHX1NPC1
SCHEMBL23864401 0.76 CTRC (0.41) EPHX2MEN1KMT2ACNR1HPGD
SCHEMBL16088616 0.76 CYP1A2 (0.53) MEN1KMT2ACYP1A2GAAALDH1A1
SCHEMBL9202790 0.75 EPHX1 (0.78) EPHX2MEN1KMT2AEPHX1NPC1
SCHEMBL7528507 0.74 SMN1; SMN2 (0.67) EPHX2MEN1KMT2AEPHX1HPGD
Hydrochloric Acid SCHEMBL5119147 0.74 EPHX1 (0.75) EPHX2MEN1KMT2AEPHX1NPC1
SCHEMBL27985529 0.72 EPHX1 (0.61) EPHX2MEN1KMT2ACNR1EPHX1
SCHEMBL7515777 0.72 EPHX1 (0.45) EPHX2MEN1KMT2AEPHX1NPC1

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-1173420-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2002-01-23 EP disclosed
WO-2000053581-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2000-09-14 WO disclosed