SCHEMBL30102270

SCHEMBL30102270

O=C(c1ccccc1Cl)N(Nc1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
POLB P06746 2/20 0.57
TP53 P04637 1/20 0.53
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
SMO Q99835 2/20 0.43

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
SCHEMBL11856926 0.88 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2POLBTP53HTT
SCHEMBL11856919 0.83 SMN1; SMN2 (0.67) RAB9ASMN1; SMN2CYP2C19CYP3A4CYP2C9
SCHEMBL2447441 0.82 POLB (0.63) POLBTP53CYP2C19CYP3A4CYP2C9
SCHEMBL27807206 0.79 POLB (0.58) RAB9ASMN1; SMN2POLBTP53CYP2C19
SCHEMBL11855070 0.78 RAB9A (0.93) RAB9ASMN1; SMN2CYP2C19CYP3A4CYP2C9
SCHEMBL30102230 0.78 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2CYP2C19CYP3A4CYP2C9
SCHEMBL30102046 0.77 SMN1; SMN2 (0.78) RAB9ASMN1; SMN2HTTALDH1A1CES2
SCHEMBL28619078 0.75 RAB9A (0.65) RAB9ASMN1; SMN2POLBTP53CYP3A4
SCHEMBL8075339 0.75 POLB (0.68) RAB9APOLBTP53CYP2C19CYP3A4
SCHEMBL3080983 0.75 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2TP53CYP3A4ALDH1A1

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-111978201-B Synthesis method of N, N' -diaryl benzoyl hydrazine compound 甘肃农业大学 2023-01-03 CN disclosed