SCHEMBL31055067

SCHEMBL31055067

Clc1cc(N=C(c2ccccc2)c2ccccc2)c2ccncc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.38
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
IMPDH2 P12268 2/20 0.37
HTT P42858 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
BLM P54132 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL21903950 1.00 CHUK (0.38) CHUKLMNAKDM4ECYP3A4CYP1A2
SCHEMBL27192425 0.81 CYP3A4 (0.39) LMNAKDM4ECYP3A4CYP1A2CYP2D6
SCHEMBL26933317 0.74 AGTR1 (0.40) KDM4ECYP3A4HTTKMT2APOLB
SCHEMBL29890282 0.74 AGTR1 (0.40) KDM4ECYP3A4HTTKMT2APOLB
SCHEMBL14658340 0.74 ADRA2A (0.39) LMNAKDM4ECYP3A4CYP1A2CYP2D6
SCHEMBL27191763 0.71 AGTR1 (0.40) KDM4ECYP1A2HTTALDH1A1HPGD
SCHEMBL27191730 0.70 ESR1 (0.36) L3MBTL1ESR1ESR2
SCHEMBL7538490 0.70 CYP3A4 (0.37) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL26933268 0.70 IMPDH2 (0.36) KDM4EIMPDH2ALDH1A1KMT2APOLB
SCHEMBL20856359 0.69 HTT (0.42) CHUKLMNAKDM4ECYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3877364-B1 ROCK KINASE INHIBITORS Cervello Therapeutics LLC (US) 2024-08-21 EP disclosed