SCHEMBL9798237

SCHEMBL9798237

C=CCC1CCC(c2ccc(-c3ccc(C#N)c(F)c3)nc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 16/20 0.40
CYP11B1 P15538 15/20 0.40
EGLN2 Q96KS0 2/20 0.39
KDM1A O60341 2/20 0.38

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
SCHEMBL9798231 1.00 CYP11B2 (0.40) CYP11B2CYP11B1EGLN2KDM1A
SCHEMBL9798375 0.87 KDM1A (0.41) CYP11B2CYP11B1KDM1A
SCHEMBL9798363 0.87 KDM1A (0.41) CYP11B2CYP11B1KDM1A
SCHEMBL7738967 0.86 CYP11B1 (0.41) CYP11B2CYP11B1EGLN2KDM1A
SCHEMBL7738973 0.86 CYP11B1 (0.41) CYP11B2CYP11B1EGLN2KDM1A
SCHEMBL9342749 0.84 EGLN2 (0.39) CYP11B2CYP11B1EGLN2KDM1A
SCHEMBL7723378 0.83 TRPV4 (0.37) CYP11B2CYP11B1EGLN2KDM1A
SCHEMBL7723382 0.83 TRPV4 (0.37) CYP11B2CYP11B1EGLN2KDM1A
SCHEMBL9798050 0.82 KDM1A (0.52) CYP11B1EGLN2KDM1A
SCHEMBL9798043 0.82 KDM1A (0.52) CYP11B1EGLN2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240320-B1 PHENYLPYRIDINE DERIVATIVES Chisso Corporation (JP) 1991-02-27 EP disclosed
US-4772416-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1988-09-20 US disclosed
EP-0240320-A2 Phenylpyridine derivatives Chisso Corporation (JP) 1987-10-07 EP disclosed