SCHEMBL9496685

SCHEMBL9496685

COC(=O)c1c(N)cc(C)nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 5/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41

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
SCHEMBL3191583 0.83 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL13363312 0.83 POLB (0.53) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL11081950 0.80 ALDH1A1 (0.43) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL31369008 0.80 KMT2A (0.50) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL30843858 0.80 CYP3A4 (0.53) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL9430268 0.80 KDM4E (0.47) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL9430272 0.80 CYP3A4 (0.53) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL11786411 0.79 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EALDH1A1KMT2AHSD17B10
SCHEMBL13531559 0.79 HSD17B10 (0.46) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL7277168 0.78 KDM4E (0.43) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A

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-5236937-A Treating hypertension, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
EP-0499415-A1 Pyridine and quinoline derivatives, processes for their manufacture and their use as angiotensin II antagonists ZENECA LIMITED (GB) 1992-08-19 EP disclosed