SCHEMBL8071670

SCHEMBL8071670

C=CCOn1c(=O)ccc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HBB P68871 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 7/20 0.44
MEN1 O00255 5/20 0.44
NPC1 O15118 1/20 0.44
CA12 O43570 1/20 0.43
BRD4 O60885 1/20 0.43
BRPF1 P55201 1/20 0.43
CA9 Q16790 1/20 0.43
KAT2B Q92831 1/20 0.43
BRD9 Q9H8M2 1/20 0.43
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL31324227 0.78 CA12 (0.47) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL9284377 0.75 ALDH1A1 (0.58) ALOX15ALDH1A1KDM4EHBBHSD17B10
SCHEMBL10661265 0.75 CA12 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1CA12
SCHEMBL4299181 0.74 CA12 (0.43) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL3227580 0.74 CA12 (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1CA12
SCHEMBL11874433 0.74 ACHE (0.38) ALDH1A1KDM4ESMN1; SMN2CA12BRD4
SCHEMBL29433205 0.73 TDP1 (0.47) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL28498048 0.72 CA12 (0.41) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL30704385 0.72 CA12 (0.41) ALDH1A1KDM4EKMT2AMEN1CA12
SCHEMBL30925613 0.72 CA12 (0.41) ALDH1A1KDM4EHSD17B10KMT2AMEN1

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
US-6133264-A Carbostyril derivatives for inhibiting skin erythema and/or skin pigmentation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed