SCHEMBL7645348

SCHEMBL7645348

CCCc1cccc(C(F)(F)F)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
AR P10275 2/20 0.39
PTPN1 P18031 1/20 0.39
MAOB P27338 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
LTA4H P09960 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSK P43235 2/20 0.35
CTSS P25774 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL9861905 0.85 GABRA1 (0.45) IDO1ARMAOBALDH1A1POLB
SCHEMBL10493894 0.81 IDO1 (0.42) IDO1MAOBALDH1A1POLBTDP1
SCHEMBL327569 0.80 IDO1 (0.52) IDO1ARMAOBALDH1A1POLB
SCHEMBL10493891 0.80 IDO1 (0.41) IDO1MAOBALDH1A1POLBTDP1
SCHEMBL2155003 0.80 GABRA1 (0.39)
SCHEMBL18124487 0.79 AR (0.40) IDO1ARNR1H2NR1H3SLC6A2
SCHEMBL13551083 0.79 EPHX2 (0.40) IDO1ARNR1H2NR1H3SLC6A2
SCHEMBL10061560 0.79 AR (0.40) IDO1ARPTPN1MAOBNR1H2
SCHEMBL10949699 0.79 MAOB (0.46) IDO1MAOBALDH1A1POLBTDP1
SCHEMBL25089766 0.78 P2RX7 (0.46) SLC6A2SLC6A4CTSKCTSS

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-3957701-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2022-02-23 EP disclosed
EP-3705483-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2020-09-09 EP disclosed
WO-2002038142-A2 SEROTONERGIC COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-16 WO disclosed