SCHEMBL31457162

SCHEMBL31457162

Cc1cc(N)n(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ CYP1A2 P05177 3/20 0.59
▸ CYP2C19 P33261 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ LMNA P02545 3/20 0.57
▸ POLB P06746 3/20 0.56
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ PKM P14618 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ RECQL P46063 1/20 0.49
▸ APEX1 P27695 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL10384028 1.00 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL18692351 0.88 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL1143474 0.82 CYP1A2 (0.68) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL17887004 0.82 L3MBTL1 (0.65) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL11020757 0.79 POLB (0.62) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL13902297 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL20386583 0.79 L3MBTL1 (0.49) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL31522193 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL13946380 0.79 L3MBTL1 (0.49) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL28515762 0.79 ALDH1A1 (0.96) ALDH1A1MEN1KMT2ACYP1A2CYP2C19

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-119661525-A Method for constructing pyrazolo [3,4-b ] pyridine by dehydrocyclization of 5-aminopyrazole and allyl alcohol 润华(江苏)新材料有限公司 2025-03-21 — — CN disclosed
Send feedback