SCHEMBL14007284

SCHEMBL14007284

CC(=O)CCNCc1cccc(CN)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ NOS2 P35228 5/20 0.44
▸ NOS1 P29475 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ NOS3 P29474 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CD274 Q9NZQ7 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ENPP2 Q13822 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TPSAB1 Q15661 2/20 0.40
▸ KLKB1 P03952 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
SCHEMBL18065729 0.85 LOXL2 (0.51) LOXL2ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL30073068 0.82 CHRM2 (0.49) ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL5738287 0.80 MEN1 (0.59) ALDH1A1ATM
Hydrochloric Acid SCHEMBL3026173 0.78 MEN1 (0.57) ALDH1A1ATM
SCHEMBL7023370 0.78 ENPP2 (0.47) LOXL2NOS2NOS1ALDH1A1NOS3
SCHEMBL21799942 0.78 CYP1A2 (0.49) LOXL2NOS2NOS1ALDH1A1NOS3
SCHEMBL30219100 0.78 MC4R (0.58) LOXL2CYP1A2CYP2D6CYP2C19ENPP2
SCHEMBL21498145 0.78 TPSAB1 (0.60) NOS2CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL13206793 0.78 TPSAB1 (0.60) NOS2CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL14007283 0.77 LTA4H (0.46) LOXL2ALDH1A1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287644-A1 HARDENER FOR EPOXY RESINS, METHOD FOR HARDENING AN EPOXY RESIN AND USE OF THE HARDENER UPPC AG (DE) 2008-11-20 — — US disclosed
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