SCHEMBL31434833

SCHEMBL31434833

O=C(CCl)NNC(=O)c1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.66
HTT P42858 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
MAPT P10636 1/20 0.66
ALPL P05186 1/20 0.61
TLR7 Q9NYK1 4/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
OPRK1 P41145 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 1/20 0.55
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.54
CDK5 Q00535 1/20 0.54
PAX8 Q06710 1/20 0.54
CDK5R1 Q15078 1/20 0.54
KDM4C Q9H3R0 1/20 0.53

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
SCHEMBL5298396 1.00 KDM4E (0.66) KDM4EHTTSMN1; SMN2MAPTALPL
SCHEMBL1147702 0.87 KDM4E (0.73) KDM4EHTTSMN1; SMN2MAPTTLR7
SCHEMBL24932399 0.85 KDM4E (0.64) KDM4EHTTSMN1; SMN2MAPTALPL
SCHEMBL24931247 0.82 KDM4E (0.69) KDM4EHTTSMN1; SMN2MAPTALPL
SCHEMBL14810907 0.80 KDM4E (0.67) KDM4EHTTSMN1; SMN2MAPTALPL
SCHEMBL24931101 0.79 TLR7 (0.78) KDM4EHTTSMN1; SMN2MAPTTLR7
Azapicyl SCHEMBL24931095 0.79 KDM4E (0.68) KDM4EHTTSMN1; SMN2MAPTALPL
SCHEMBL1314391 0.79 KDM4E (0.68) KDM4EHTTSMN1; SMN2MAPTALPL
SCHEMBL24931082 0.79 KDM4E (0.69) KDM4EHTTSMN1; SMN2MAPTALPL
SCHEMBL9341104 0.78 KMT2A (0.83) SMN1; SMN2ALDH1A1KMT2A

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-2025085347-A1 IL4I1 INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-04-24 WO disclosed