SCHEMBL7946425

SCHEMBL7946425

Cc1c(C(=O)O)c2n(c1-c1cccnc1)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.40
CYP2C9 P11712 2/20 0.39
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
GPR35 Q9HC97 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TBXAS1 P24557 2/20 0.38
CYP11B2 P19099 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 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
SCHEMBL7953701 0.89 CYP11B2 (0.42) KDM4EKMT2AMEN1GAACYP2C9
SCHEMBL7585895 0.87 KMT2A (0.56) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL7946402 0.86 KMT2A (0.43) KDM4EKMT2AMEN1GAACYP2C9
SCHEMBL7957097 0.86 KMT2A (0.43) KDM4EKMT2AMEN1GAACYP2C9
SCHEMBL9710973 0.85 KMT2A (0.60) KDM4EKMT2AMEN1GAACYP2C9
SCHEMBL7954864 0.81 CYP11B2 (0.42) KDM4EKMT2AMEN1CYP2C9AVPR2
SCHEMBL7953699 0.80 KMT2A (0.41) KDM4EKMT2AMEN1CYP2C9AVPR2
SCHEMBL7954909 0.79 MKNK1 (0.41) KMT2AMEN1GAACYP2C9AVPR2
SCHEMBL7951763 0.79 MEN1 (0.48) KDM4EKMT2AMEN1CYP2C9MKNK1
SCHEMBL8325141 0.78 KDM4E (0.39) KDM4ECYP2C9MKNK1MKNK2GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US claimed
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed
EP-0833635-A1 NOVEL USE FOR PYRROLE DERIVATIVES Aventis Pharma S.A. (FR) 1998-04-08 EP disclosed
WO-1997000073-A1 NOVEL USE FOR PYRROLE DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1997-01-03 WO disclosed