SCHEMBL1008752

SCHEMBL1008752

C[n+]1ccn(Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
IDO1 P14902 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABHD6 Q9BV23 1/20 0.41
ATM Q13315 1/20 0.40
ACP3 P15309 1/20 0.40

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
Bromide SCHEMBL2192405 0.99 ALDH1A1 (0.47) ALDH1A1KDM4EGAAMAPTPOLB
SCHEMBL1009960 0.82 KDM4E (0.42) ALDH1A1KDM4EMAPTLMNAHTT
Bromide SCHEMBL2191910 0.81 KDM4E (0.41) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL20138573 0.79 CYP11B1 (0.53) ALDH1A1KDM4EMAPTPOLBTP53
Hydrochloric Acid SCHEMBL2012582 0.78 CYP11B1 (0.55) ALDH1A1KDM4EMAPTPOLBTP53
Water SCHEMBL18260003 0.78 CYP11B1 (0.51) ALDH1A1KDM4EMAPTPOLBTP53
SCHEMBL28907511 0.77 PON1 (0.32) MAPTHTTSMN1; SMN2
SCHEMBL667065 0.76 PON1 (0.50) MAPTPOLBLMNAHTTL3MBTL1
SCHEMBL1011073 0.75 LPO (0.56) ALDH1A1KDM4EMAPTLMNATP53
SCHEMBL31238837 0.75 PON1 (0.47) MAPTPOLBLMNAHTTL3MBTL1

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-2268652-B1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-12-19 EP disclosed
EP-2268652-A2 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2011-01-05 EP disclosed
WO-2009118475-A2 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-10-01 WO disclosed