SCHEMBL10665320

SCHEMBL10665320

N#CCCCSc1cccc(CN2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HRH3 Q9Y5N1 7/20 0.45
▸ PRMT6 Q96LA8 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CYP2C19 P33261 1/20 0.40
▸ POLB P06746 1/20 0.38

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
SCHEMBL7810420 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TDP1HRH3PRMT6
SCHEMBL7805242 0.80 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TDP1HRH3PRMT6
SCHEMBL9574835 0.78 HRH2 (0.55) SMN1; SMN2ALDH1A1HRH3KDM4ECYP2D6
SCHEMBL11268821 0.77 HRH2 (0.54) SMN1; SMN2HRH3CYP2D6HIF1A
SCHEMBL10401250 0.77 HRH2 (0.54) SMN1; SMN2HRH3CYP2D6HIF1A
SCHEMBL7813997 0.76 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1TDP1HRH3PRMT6
SCHEMBL10668832 0.76 PRMT6 (0.50) SMN1; SMN2ALDH1A1TDP1HRH3PRMT6
SCHEMBL10744580 0.76 HRH2 (0.53) SMN1; SMN2ALDH1A1HRH3KDM4ECYP2D6
SCHEMBL10667188 0.76 HRH2 (0.53) HRH3
SCHEMBL11263724 0.76 HRH2 (0.53) SMN1; SMN2HRH3CYP2D6HIF1A

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-4767769-A HISTAMINE-H2 ANTAGONISTS THE BOOTS COMPANY PLC (GB) 1988-08-30 — — US disclosed
EP-0172631-A1 Therapeutic agents The Boots Company PLC (GB) 1986-02-26 — — EP disclosed
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