SCHEMBL11802472

SCHEMBL11802472

CCCCOc1ccccc1NC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
KMT2A Q03164 4/20 0.55
APP P05067 1/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LTA4H P09960 2/20 0.44
CYP19A1 P11511 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
NLRP1 Q9C000 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL23679247 0.94 KMT2A (0.50) CYP1A2CYP2C9CYP2C19KMT2AAPP
SCHEMBL11736716 0.93 KMT2A (0.51) CYP1A2CYP2C9CYP2C19KMT2AAPP
SCHEMBL13477751 0.90 KMT2A (0.54) CYP1A2CYP2C9CYP2C19KMT2AAPP
SCHEMBL10871089 0.86 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19KMT2APOLB
SCHEMBL20983500 0.83 APP (0.50) CYP1A2CYP2C9CYP2C19KMT2AAPP
SCHEMBL947416 0.82 GAA (0.58) CYP2C19KMT2AAPPPOLBTSHR
1,2-Dibutoxybenzene SCHEMBL29428927 0.81 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19KMT2AMEN1
1,2-Dibutoxybenzene SCHEMBL1226749 0.81 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL12017391 0.81 KDM4E (0.61) CYP1A2CYP2C9CYP2C19KMT2AAPP
SCHEMBL16383974 0.81 APP (0.51) KMT2AAPPPOLBMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119677819-A Azo compound or salt thereof, and polarizing film, polarizing plate and liquid crystal display device each containing the same 日本化药株式会社 2025-03-21 CN disclosed
US-3981717-A ANILINO COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1976-09-21 US disclosed