SCHEMBL7953699

SCHEMBL7953699

CC(=O)c1c(Br)c(-c2cccnc2)n2c1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP11B2 P19099 8/20 0.39
CYP11B1 P15538 1/20 0.39
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRNA7 P36544 1/20 0.35

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
SCHEMBL7957097 0.89 KMT2A (0.43) KMT2AMEN1CYP11B2AVPR2OXTR
SCHEMBL7957167 0.88 MKNK1 (0.40) KMT2AMEN1CYP11B2CYP11B1AVPR2
SCHEMBL7960407 0.88 KMT2A (0.55) KMT2AMEN1CYP11B2CYP11B1ALDH1A1
SCHEMBL7954864 0.87 CYP11B2 (0.42) KMT2AMEN1CYP11B2CYP11B1AVPR2
SCHEMBL7946425 0.80 KDM4E (0.49) KMT2AMEN1CYP11B2CYP11B1AVPR2
SCHEMBL7953701 0.79 CYP11B2 (0.42) KMT2AMEN1CYP11B2CYP11B1AVPR2
SCHEMBL7954850 0.78 ABCC1 (0.43) CYP11B2CYP11B1KDM4EALDH1A1LMNA
SCHEMBL7946402 0.78 KMT2A (0.43) KMT2AMEN1CYP11B2AVPR2OXTR
SCHEMBL7954909 0.78 MKNK1 (0.41) KMT2AMEN1CYP11B2AVPR2OXTR
SCHEMBL7585895 0.77 KMT2A (0.56) KMT2AMEN1CYP11B2CYP11B1KDM4E

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 6 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
EP-0833635-A1 NOVEL USE FOR PYRROLE DERIVATIVES Aventis Pharma S.A. (FR) 1998-04-08 EP claimed
WO-1997000073-A1 NOVEL USE FOR PYRROLE DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1997-01-03 WO 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