SCHEMBL38656222

SCHEMBL38656222

COc1cc(-c2nc(CCl)co2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 3/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4271339 0.82 KDM4E (0.53) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL38656337 0.81 ABCB1 (0.49) CHEK1POLBMAPTALDH1A1
SCHEMBL2823838 0.78 CHEK1 (0.48) CHEK1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL310172 0.77 NOTUM (0.49) CHEK1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL36971632 0.77 NOTUM (0.49) CHEK1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL4279483 0.77 SMN1; SMN2 (0.56) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL38655983 0.76 KDM4E (0.67) CHEK1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL4277755 0.76 ALDH1A1 (0.44) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL4275021 0.75 KDM4E (0.44) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL2764253 0.75 KDM4E (0.50) NPC1HPGDSMN1; SMN2POLBMAPT

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-122036715-A 2, 4-Diarylaminopyrimidine derivative containing benzodithioryl, and pharmaceutical composition and application thereof 盐城工业职业技术学院 2026-05-15 CN disclosed