SCHEMBL27655643

SCHEMBL27655643

[CH2]CC(N)(CC)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
RIPK1 Q13546 1/20 0.40
CYP3A4 P08684 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ATM Q13315 1/20 0.37
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL27860359 0.78 IDO1 (0.48) IDO1RIPK1CYP3A4MAPTKDM4E
SCHEMBL22472089 0.77 RIPK1 (0.49) IDO1RIPK1CYP3A4MAPTKDM4E
SCHEMBL6098836 0.73 CYP3A4 (0.46) IDO1RIPK1CYP3A4MAPTKDM4E
SCHEMBL28672017 0.72 HTT (0.48) IDO1RIPK1CYP3A4MAPTKDM4E
SCHEMBL6891746 0.71 RIPK1 (0.50) IDO1RIPK1CYP3A4MAPTKDM4E
SCHEMBL20686991 0.71 RIPK1 (0.50) IDO1RIPK1CYP3A4MAPTKDM4E
Hydrochloric Acid SCHEMBL15101422 0.71 MAPT (0.52) IDO1RIPK1CYP3A4MAPTKDM4E
SCHEMBL9844619 0.70 IDO1 (0.43) IDO1RIPK1CYP3A4MAPTKDM4E
SCHEMBL10949413 0.69 SLC6A2 (0.48) IDO1RIPK1CYP3A4MAPTKDM4E
SCHEMBL20163215 0.69 RIPK1 (0.49) IDO1RIPK1CYP3A4MAPTKDM4E

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
CN-104220268-B Record medium 惠普发展公司,有限责任合伙企业 2016-08-17 CN disclosed
CN-100418915-C Sizing composition for thermoplastic reinforcement OWENS CORNING COMPOSITES SPRL (BE) 2008-09-17 CN disclosed
CN-1805910-A Sizing composition for thermoplastic material reinforcement OWENS CORNING COMPOSITES SPRL (BE) 2006-07-19 CN disclosed