SCHEMBL1099435

SCHEMBL1099435

C[C](C)C(c1ccccc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPA1 O75762 1/20 0.39
LMNA P02545 2/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.36
NOS2 P35228 1/20 0.36
RIPK1 Q13546 1/20 0.36
ACP3 P15309 1/20 0.36
CYP2D6 P10635 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
SCHEMBL12458246 0.85 ATM (0.44) ATML3MBTL1LMNAHPGDCYP2D6
SCHEMBL8671904 0.85 ATM (0.44) ATML3MBTL1LMNAHPGDCYP2D6
SCHEMBL21747696 0.81 ATM (0.53) ATML3MBTL1TRPA1LMNAADRA2A
Methyl Alcohol SCHEMBL5139174 0.80 SRC (0.46) ATML3MBTL1LMNACYP2D6
SCHEMBL195532 0.79 SRC (0.50) ATML3MBTL1LMNAACP3CYP2D6
SCHEMBL7955519 0.79 SRC (0.50) ATML3MBTL1LMNAACP3CYP2D6
SCHEMBL17363627 0.79 HPGD (0.35) ATML3MBTL1LMNAHPGDACP3
SCHEMBL3248502 0.79 CES1 (0.37) ATML3MBTL1LMNAACP3CYP2D6
SCHEMBL28044484 0.79 CYP2D6 (0.44) ATML3MBTL1LMNAACP3CYP2D6
SCHEMBL4026079 0.79 SRC (0.50) ATML3MBTL1LMNAACP3CYP2D6

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
US-8153682-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-04-10 US disclosed
EP-1418916-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Amgen Inc. (US) 2004-05-19 EP disclosed
WO-2003018022-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AMGEN INC. (US) 2003-03-06 WO disclosed