SCHEMBL22336609

SCHEMBL22336609

Cc1cc(C)cc(N(C)c2c(C)cc(C)cc2C)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.37
RAPGEF4 Q8WZA2 2/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
TSPO P30536 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL10296013 0.86 ACHE (0.40) ARRAPGEF4ALDH1A1TSHRTSPO
SCHEMBL13509012 0.83 TSHR (0.42) ARRAPGEF4ALDH1A1TSHRTSPO
SCHEMBL16263981 0.83 RAPGEF4 (0.43) RAPGEF4ALDH1A1TSHRKDM4ELMNA
SCHEMBL21883802 0.81 ALDH1A1 (0.44) ARRAPGEF4ALDH1A1TSHRKDM4E
SCHEMBL20210147 0.80 ALDH1A1 (0.50) RAPGEF4ALDH1A1TSHRMAPT
SCHEMBL22337431 0.80 CSF1R (0.47) ALDH1A1TSHRMAPT
SCHEMBL18719354 0.78 CYP1A2 (0.40) TSHRLMNAGAACYP1A2CYP2A6
SCHEMBL20210150 0.77 ALDH1A1 (0.36) RAPGEF4ALDH1A1TSHRLMNAMAPT
SCHEMBL16615351 0.76 RAPGEF4 (0.38) RAPGEF4ALDH1A1TSHRKDM4ELMNA
SCHEMBL20209998 0.74 RAPGEF4 (0.36) RAPGEF4ALDH1A1KDM4ELMNAGAA

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
WO-2020162600-A1 POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2020-08-13 WO disclosed