SCHEMBL21969730

SCHEMBL21969730

CNCCN(CCN)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
PRMT8 Q9NR22 1/20 0.53
ATM Q13315 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AOC3 Q16853 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CNR2 P34972 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 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
SCHEMBL16081620 0.87 ATM (0.54) CARM1PRMT6PRMT8ATMTAAR1
SCHEMBL2346063 0.85 CARM1 (0.63) CARM1PRMT6PRMT8TAAR1AOC3
SCHEMBL11402252 0.84 HRH3 (0.53) ATMTAAR1L3MBTL1MEN1KMT2A
SCHEMBL18687449 0.83 TAAR1 (0.49) CARM1PRMT6PRMT8TAAR1MEN1
Hydrochloric Acid SCHEMBL3665790 0.83 CARM1 (0.61) CARM1PRMT6PRMT8TAAR1AOC3
SCHEMBL29860798 0.83 CARM1 (0.61) CARM1PRMT6PRMT8TAAR1AOC3
SCHEMBL28789449 0.83 CARM1 (0.49) CARM1PRMT6PRMT8SIGMAR1
SCHEMBL20067552 0.83 HTT (0.50) ATMTAAR1L3MBTL1MEN1KMT2A
SCHEMBL15466880 0.82 MAOB (0.50) ATMTAAR1TSHRKDM4ECNR2
SCHEMBL4922897 0.81 MEN1 (0.52) CARM1PRMT6PRMT8MEN1KMT2A

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-3153510-B1 FUSED AZINES AS CHEMOKINE CXCR4 RECEPTOR MODULATORS AND USES RELATED THERETO UNIV EMORY (US) 2020-05-06 EP disclosed