SCHEMBL29068503

SCHEMBL29068503

CNc1ccc2c(c1)Cc1ccc(NC)cc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.49
ADRA2A P08913 1/20 0.49
MAOA P21397 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR2B P41595 1/20 0.49
RAB9A P51151 6/20 0.47
MAPT P10636 5/20 0.47
CYP3A4 P08684 2/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 4/20 0.44
POLB P06746 1/20 0.42
KDM4E B2RXH2 5/20 0.40
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 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
SCHEMBL30572826 1.00 CYP1A2 (0.49) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL19678234 0.94 RAB9A (0.52) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL8918523 0.88 CYP1A2 (0.63) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL20034967 0.88 CYP1A2 (0.54) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL14391538 0.82 RAB9A (0.56) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL7361875 0.82 SLC1A3 (0.48) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL22079201 0.82 CHEK2 (0.44) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL3984275 0.77 CYP1A2 (0.54) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL8854657 0.73 RAB9A (0.36) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL30476640 0.73 RAPGEF4 (0.44) ADRA2ARAB9AMAPTKMT2ASMN1; SMN2

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-116745115-A Laminate, card and case 索尼集团公司 2023-09-12 CN disclosed