SCHEMBL11069336

SCHEMBL11069336

NC1CC(=O)Nc2ccccc2S1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.66
CREBBP Q92793 7/20 0.66
ALDH1A1 P00352 4/20 0.64
HSD17B10 Q99714 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
TSHR P16473 1/20 0.64
GAA P10253 3/20 0.57
MAPK1 P28482 2/20 0.57
TP53 P04637 1/20 0.57
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
EP300 Q09472 1/20 0.45
TDP1 Q9NUW8 3/20 0.42
POLB P06746 2/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
USP2 O75604 1/20 0.42
ESR1 P03372 1/20 0.42
THRB P10828 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
SCHEMBL10353037 0.79 BRD4 (0.66) BRD4CREBBPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL8853797 0.79 CREBBP (1.00) BRD4CREBBPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9817819 0.78 ALDH1A1 (1.00) BRD4CREBBPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9629696 0.77 CREBBP (0.71) BRD4CREBBPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL8853794 0.76 BRD4 (0.65) BRD4CREBBPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4762702 0.74 CREBBP (0.59) BRD4CREBBPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL10353017 0.73 BRD4 (0.54) BRD4CREBBPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9629700 0.73 BRD4 (0.57) BRD4CREBBPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL14273765 0.73 ALDH1A1 (0.64) BRD4CREBBPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL8853387 0.73 BRD4 (0.61) BRD4CREBBPALDH1A1HSD17B10SMN1; 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
US-4477464-A Hetero-benzazepine derivatives and their pharmaceutical use CIBA-GEIGY CORPORATION (US) 1984-10-16 US disclosed