SCHEMBL9505080

SCHEMBL9505080

O=C(NCc1ccc(Cl)cc1)c1c(Cl)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
POLB P06746 1/20 0.55
HPGD P15428 3/20 0.54
ALDH1A1 P00352 2/20 0.54
THRB P10828 2/20 0.54
MAPT P10636 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 1/20 0.54
CYP1A2 P05177 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 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
SCHEMBL6357749 0.87 ALDH2 (0.61) ALDH2MEN1KMT2APOLBHPGD
SCHEMBL6255530 0.87 ALDH2 (0.57) ALDH2MEN1KMT2APOLBHPGD
SCHEMBL26922366 0.87 ALDH2 (0.57) ALDH2MEN1KMT2APOLBHPGD
SCHEMBL6362752 0.87 KMT2A (0.60) ALDH2MEN1KMT2ACYP2C19POLB
SCHEMBL17577444 0.87 ALDH2 (0.57) ALDH2MEN1KMT2APOLBHPGD
SCHEMBL14352881 0.84 TRPV1 (0.56) ALDH2POLBHPGDALDH1A1
SCHEMBL16135736 0.83 KDM4E (0.57) ALDH2KMT2APOLBHPGDALDH1A1
SCHEMBL21013836 0.83 EPHX2 (0.55) ALDH2MEN1KMT2APOLBHPGD
SCHEMBL21196368 0.83 ALDH2 (0.54) ALDH2MEN1KMT2APOLBHPGD
SCHEMBL205506 0.83 MAPK14 (0.54) ALDH2MEN1KMT2ACYP2C19POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119534706-A Quality detection method of diclofenac sodium lidocaine hydrochloride injection 四川健林药业有限责任公司 2025-02-28 CN claimed
CN-119534706-A Quality detection method of diclofenac sodium lidocaine hydrochloride injection 四川健林药业有限责任公司 2025-02-28 CN disclosed
EP-0314422-B1 N-PHENYLALKYLBENZAMIDE FUNGICIDES DOWELANCO (US) 1993-07-28 EP disclosed
EP-0314422-A2 N-phenylalkylbenzamide fungicides DOWELANCO (US) 1989-05-03 EP disclosed