SCHEMBL31631912

SCHEMBL31631912

COc1nc(N=C(c2ccccc2)c2ccccc2)ncc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 3/20 0.38
RAD52 P43351 1/20 0.35
PLAU P00749 1/20 0.35
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 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
SCHEMBL16217689 0.74 ALDH1A1 (0.38) ALDH1A1KMT2APLAUSMN1; SMN2LMNA
SCHEMBL4667940 0.67 ESR1 (0.37) ALDH1A1KDM4EKMT2APLAUMEN1
SCHEMBL16217691 0.67 ESR1 (0.34) ALDH1A1HPGDSMN1; SMN2LMNAHTT
Ammonia Solution, Strong SCHEMBL4908574 0.66 ESR1 (0.36) ALDH1A1KDM4EKMT2APLAUMEN1
SCHEMBL18704077 0.66 RECQL (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL22833378 0.66 MGLL (0.36) ALDH1A1KDM4EHPGDKMT2ARAD52
SCHEMBL24076866 0.66 KMT2A (0.35) ALDH1A1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL19621808 0.65 ESR1 (0.35) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL2614944 0.64 RECQL (0.35) KMT2AHTTGAA
SCHEMBL24225498 0.64 NUDT1 (0.34) KMT2AHTT

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
WO-2025125665-A1 FURTHER SUBSTITUTED IMIDAZOLES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2025-06-19 WO disclosed