SCHEMBL19782400

SCHEMBL19782400

Cc1cc(Cl)c(N)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.40
NR4A2 P43354 2/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
HPGD P15428 1/20 0.39
PPARG P37231 1/20 0.39
STAT3 P40763 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MAPT P10636 3/20 0.38
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CD44 P16070 1/20 0.36

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
SCHEMBL1886976 0.83 POLB (0.45) ALDH1A1NR4A2CYP3A4LMNANOS3
SCHEMBL30124712 0.83 POLB (0.45) ALDH1A1NR4A2CYP3A4LMNANOS3
SCHEMBL9382622 0.81 NR4A2 (0.44) ALDH1A1NR4A2CYP3A4LMNANOS3
SCHEMBL31330045 0.77 KDM4E (0.38) KDM4EALDH1A1NR4A2CYP3A4LMNA
SCHEMBL31330044 0.77 KDM4E (0.38) KDM4EALDH1A1NR4A2CYP3A4LMNA
SCHEMBL17595014 0.75 ALDH1A1 (0.43) ALDH1A1CYP3A4NOS3NOS1NOS2
SCHEMBL1279214 0.75 KDM4E (0.54) KDM4EALDH1A1CYP3A4LMNANOS3
SCHEMBL3808172 0.75 KDM4E (0.43) KDM4EALDH1A1NR4A2LMNANOS3
SCHEMBL4797238 0.75 ALDH1A1 (0.43) KDM4EALDH1A1CYP3A4MAPTHSP90AA1
SCHEMBL19754831 0.74 HSP90AA1 (0.41) ALDH1A1NR4A2CYP3A4LMNANOS3

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
WO-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 WO disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed