SCHEMBL7214532

SCHEMBL7214532

NCCCNc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
SYK P43405 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IDO1 P14902 1/20 0.43
NOS1 P29475 1/20 0.43
ICMT O60725 1/20 0.42
STK17B O94768 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
SCHEMBL11935735 0.93 MAPT (0.44) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL5726787 0.88 HPGD (0.49) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL22631193 0.88 MAPT (0.54) MAPTHTTCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4683451 0.86 HPGD (0.47) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL11119734 0.82 ALDH1A1 (0.68) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL416787 0.82 MEN1 (0.50) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL11115860 0.81 HPGD (0.46) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL4155729 0.81 MEN1 (0.50) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL27642277 0.81 F2R (0.48) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL7215162 0.81 KDR (0.54) MAPTHTTCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed