SCHEMBL9798043

SCHEMBL9798043

C=CC[C@H]1CC[C@H](c2ccc(-c3ccc(C#N)cc3)nc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.52
EGLN2 Q96KS0 3/20 0.38
CYP11B1 P15538 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DGAT1 O75907 2/20 0.36
EP300 Q09472 2/20 0.35
MAOA P21397 2/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MLNR O43193 1/20 0.34

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
SCHEMBL9798050 1.00 KDM1A (0.52) KDM1AEGLN2CYP11B1KDM4EALDH1A1
SCHEMBL9798188 0.89 DGAT1 (0.42) KDM1ADGAT1
SCHEMBL9798177 0.89 DGAT1 (0.42) KDM1ADGAT1
SCHEMBL9676427 0.86 EGLN2 (0.40) KDM1AEGLN2HRH2HRH1HRH3
SCHEMBL10890212 0.86 EGLN2 (0.40) KDM1AEGLN2HRH2HRH1HRH3
SCHEMBL9805337 0.86 KDM1A (0.48) KDM1AEGLN2CYP11B1KDM4EALDH1A1
SCHEMBL9805343 0.86 KDM1A (0.48) KDM1AEGLN2CYP11B1KDM4EALDH1A1
SCHEMBL20924205 0.86 KDM1A (0.67) KDM1AEGLN2CYP11B1KDM4EALDH1A1
SCHEMBL9798346 0.85 HRH3 (0.41) EGLN2HRH2HRH1HRH3
SCHEMBL9798359 0.85 HRH3 (0.41) EGLN2HRH2HRH1HRH3

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 2 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