SCHEMBL9869506

SCHEMBL9869506

CC[C](CC)CC=Nc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.36
MAPT P10636 7/20 0.36
KDM4E B2RXH2 4/20 0.36
ATM Q13315 1/20 0.36
RAB9A P51151 5/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
NPC1 O15118 3/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
MAPK1 P28482 1/20 0.36
NOS3 P29474 4/20 0.35
NOS1 P29475 4/20 0.35
NOS2 P35228 2/20 0.35
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.33

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
SCHEMBL9870273 0.82 CYP2C9 (0.46) ALDH1A1MAPTKDM4ERAB9AKMT2A
SCHEMBL8603549 0.77 ALDH1A1 (0.33) ALDH1A1MAPTKDM4EATMRAB9A
SCHEMBL7120357 0.76 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ERAB9AKMT2A
SCHEMBL1116030 0.76 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ERAB9AKMT2A
SCHEMBL10378413 0.76 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ERAB9AKMT2A
SCHEMBL9318402 0.74 NOS1 (0.47) ALDH1A1MAPTKDM4ERAB9AKMT2A
Bicarbonate SCHEMBL10710256 0.73 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ERAB9AKMT2A
SCHEMBL8607892 0.73 NOS3 (0.36) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL9112452 0.73 NOS3 (0.36) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL28816178 0.73 MEN1 (0.47) ALDH1A1MAPTKDM4ERAB9AKMT2A

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-5010161-A Of poly (phenylenebisalkylene) poly (phenylamine) with aldehyde, regenerated under hydrolysis, for use in moisture curable polyurethanes MITSUI TOATSU CHEMICALS, INC. (JP) 1991-04-23 US disclosed
EP-0375318-A2 Polyaldimine derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-06-27 EP disclosed