SCHEMBL7967982

SCHEMBL7967982

CC(=O)c1c(C(F)(F)F)c(-c2cccnc2)n2c1C=CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.37
P2RX7 Q99572 3/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP11B1 P15538 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
GRM2 Q14416 1/20 0.33
EGFR P00533 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
ERN1 O75460 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL8327305 0.90 MKNK1 (0.36) CYP11B2P2RX7CYP2C9MKNK1MKNK2
SCHEMBL7963174 0.89 MKNK1 (0.37) CYP11B2P2RX7MKNK1MKNK2EGFR
SCHEMBL7965769 0.89 CFTR (0.41) CYP11B2CYP3A4CYP2C9CYP2C19CYP11B1
SCHEMBL7963271 0.84 CYP2A6 (0.38) CYP11B2CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL7963276 0.84 CYP11B2 (0.39) CYP11B2P2RX7CYP3A4CYP2A6CYP2C9
SCHEMBL7961877 0.82 CYP11B2 (0.40) CYP11B2CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL7962951 0.82 CYP11B2 (0.37) CYP11B2CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL7967150 0.79 POLB (0.33)
SCHEMBL7962090 0.79 CYP11B2 (0.39) CYP11B2CYP11B1CYP1A2ALDH1A1
SCHEMBL8328659 0.78 GPR35 (0.38) CYP11B2CYP3A4CYP2A6CYP2C9CYP2C19

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-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US claimed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP disclosed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO disclosed