SCHEMBL7967494

SCHEMBL7967494

Cc1c(C#N)c2n(c1-c1cccnc1)CCCC2O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.41
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HTT P42858 2/20 0.40
DYRK1A Q13627 2/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP11B1 P15538 1/20 0.38
MAOA P21397 1/20 0.38
CHRNA7 P36544 2/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNA2 Q15822 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
PSIP1 O75475 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
SCHEMBL7961438 0.90 CYP11B2 (0.41) CYP11B2KDM4EHSD17B10HTTDYRK1A
SCHEMBL2158211 0.86 KMT2A (0.40) CYP11B2KDM4EHSD17B10HTTALDH1A1
SCHEMBL7964696 0.86 CYP11B2 (0.39) CYP11B2KDM4EHSD17B10HTTDYRK1A
SCHEMBL7961681 0.84 CYP11B2 (0.37) CYP11B2KDM4EALDH1A1CYP11B1MAOA
SCHEMBL7963284 0.83 UCHL1 (0.40) CYP11B2KDM4EHSD17B10HTTALDH1A1
SCHEMBL8327037 0.81 UCHL1 (0.41) CYP11B2KDM4EHSD17B10HTTALDH1A1
SCHEMBL7961904 0.81 CYP11B2 (0.39) CYP11B2KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL8325141 0.81 KDM4E (0.39) CYP11B2KDM4EHSD17B10ALDH1A1CHRNA7
SCHEMBL7952126 0.81 CYP11B2 (0.41) CYP11B2KDM4EHSD17B10HTTALDH1A1
SCHEMBL7967855 0.80 UCHL1 (0.40) CYP11B2KDM4EHTTALDH1A1CYP11B1

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
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP claimed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO 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