SCHEMBL21799749

SCHEMBL21799749

CCCC(C)(C)NCc1cccc(CN)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.38
NOS2 P35228 4/20 0.38
ALDH1A1 P00352 2/20 0.38
NOS3 P29474 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
PNMT P11086 1/20 0.38
ENPP2 Q13822 1/20 0.38
LOXL2 Q9Y4K0 3/20 0.37
PRMT6 Q96LA8 1/20 0.36
PIM1 P11309 1/20 0.35
TLR7 Q9NYK1 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
NCF1 P14598 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
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
SCHEMBL21799817 0.87 NOS1 (0.40) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL21799492 0.86 HTT (0.40) NOS1NOS2NOS3LOXL2CYP1A2
SCHEMBL21799477 0.81 PNMT (0.44) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL21799655 0.80 NOS1 (0.40) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL21790795 0.79 CYP2D6 (0.44) CYP3A4RAB9AATMCYP2D6CYP2C9
SCHEMBL7029428 0.78 ENPP2 (0.46) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL21799850 0.75 NOS1 (0.39) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL21799612 0.73 PNMT (0.34) PNMTPIM1
SCHEMBL13862374 0.73 TAAR1 (0.42) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL21799942 0.73 CYP1A2 (0.49) NOS1NOS2ALDH1A1NOS3SMN1; SMN2

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-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 US disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 EP disclosed