SCHEMBL10413633

SCHEMBL10413633

CCCCCCCCCCn1c(-c2ccccc2)cc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MTNR1A P48039 2/20 0.56
MTNR1B P49286 2/20 0.56
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TLR8 Q9NR97 2/20 0.48
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
CNR2 P34972 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BACE1 P56817 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4847027 1.00 ALDH1A1 (0.58) ALDH1A1MTNR1AMTNR1BKMT2AL3MBTL1
SCHEMBL11664571 1.00 ALDH1A1 (0.58) ALDH1A1MTNR1AMTNR1BKMT2AL3MBTL1
SCHEMBL11663572 0.98 ALDH1A1 (0.60) ALDH1A1MTNR1AMTNR1BKMT2AL3MBTL1
SCHEMBL9416226 0.94 ALDH1A1 (0.61) ALDH1A1MTNR1AMTNR1BKMT2AL3MBTL1
SCHEMBL27547723 0.91 ALDH1A1 (0.58) ALDH1A1MTNR1AMTNR1BKMT2AL3MBTL1
SCHEMBL11812516 0.90 TP53 (0.49) ALDH1A1MTNR1AMTNR1BKMT2AL3MBTL1
SCHEMBL12765103 0.89 ALDH1A1 (0.47) ALDH1A1MTNR1AMTNR1BKMT2AL3MBTL1
SCHEMBL11660383 0.87 ALDH1A1 (0.65) ALDH1A1MTNR1AMTNR1BKMT2AL3MBTL1
SCHEMBL4854120 0.87 CNR2 (0.45) ALDH1A1MTNR1AMTNR1BL3MBTL1TP53
SCHEMBL20476730 0.87 ALDH1A1 (0.51) ALDH1A1MTNR1AMTNR1BKMT2AL3MBTL1

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
US-4895958-A CHROMOGENS, IMAGES, PRESSURE SENSITIVE AND HEAT RESPONSIVE CARBONLESS DUPLICATING HILTON DAVIS CO. (US) 1990-01-23 US disclosed
US-4795736-A AMINOPHENYL PHENYLSULFONYL PROPENE/1-/ HILTON DAVIS CO. (US) 1989-01-03 US disclosed