SCHEMBL11186271

SCHEMBL11186271

CCC[CH]SCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
MAOB P27338 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PRMT1 Q99873 1/20 0.37
IDO1 P14902 3/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL5272709 0.88 CYP1A2 (0.39) TP53MAOBCYP1A2CYP3A4CYP2D6
SCHEMBL11179571 0.86 SIGMAR1 (0.41) TP53SMN1; SMN2EPHX2
SCHEMBL5073225 0.85 EPHX2 (0.42) TP53SMN1; SMN2EPHX2
SCHEMBL934485 0.83 TP53 (0.44) TP53MAOBCTSLCTSBRAB9A
SCHEMBL8410057 0.82 IDO1 (0.41) RAB9ACYP1A2CYP3A4IDO1SMN1; SMN2
SCHEMBL5165136 0.78 MAOB (0.52) TP53MAOBCTSLCTSBCYP1A2
SCHEMBL8413003 0.76 ACHE (0.43) RAB9ANOS1POLB
SCHEMBL2534699 0.73 MAOB (0.46) TP53MAOBCTSLCTSBCYP1A2
SCHEMBL8541497 0.72 MAOB (0.50) TP53MAOBCTSLCTSBCYP1A2
SCHEMBL8374191 0.72 MAOB (0.50) TP53MAOBCTSLCTSBCYP1A2

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-4393070-A HYPOTENSIVE, VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-07-12 US disclosed
US-4307103-A TREATMENT OF HYPERTENSION AND CARDIOVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-22 US disclosed