SCHEMBL31540904

SCHEMBL31540904

N=C(N)NCc1cccc(CN)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.55
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
ENPP2 Q13822 1/20 0.47
NOS1 P29475 6/20 0.46
NOS2 P35228 6/20 0.46
NOS3 P29474 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
ALOX12 P18054 1/20 0.46
CFD P00746 1/20 0.44
TPSAB1 Q15661 2/20 0.43

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
Sulfuric Acid SCHEMBL30949020 0.92 LOXL2 (0.47) LOXL2CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL14470339 0.85 ALDH1A1 (0.46) LOXL2CYP2D6CYP1A2NOS1NOS2
SCHEMBL2717977 0.85 PRSS1 (0.55) LOXL2CYP2D6CYP1A2ENPP2NOS1
SCHEMBL14686209 0.84 TPSAB1 (0.59) LOXL2CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL27115291 0.84 CFD (0.55) LOXL2CYP2D6CYP1A2CYP2C9TSHR
1400W SCHEMBL4467 0.84 NOS1 (0.49) LOXL2CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL13892061 0.84 LMNA (0.44) LOXL2CYP2D6CYP1A2NOS1NOS2
SCHEMBL7874952 0.84 LOXL2 (0.49) LOXL2CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL16181566 0.84 NOS1 (0.54) CYP2D6NOS1NOS2NOS3ALDH1A1
Hydrochloric Acid SCHEMBL3046366 0.82 TPSAB1 (0.57) LOXL2CYP2D6CYP1A2CYP2C9TSHR

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
CN-119998365-A Anion exchange separation articles, methods of manufacture, and methods of use 舒万诺知识产权公司 2025-05-13 CN disclosed