SCHEMBL11266906

SCHEMBL11266906

COC(=O)CCCCc1csc(N)n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.47
GABRB2 P47870 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NOS1 P29475 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7379588 0.95 GABRA5 (0.49) GABRA5GABRB2HSD17B10TSHRSMN1; SMN2
SCHEMBL27527998 0.89 GABRA5 (0.51) GABRA5GABRB2HSD17B10TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL1631420 0.88 GABRA5 (0.50) GABRA5GABRB2HSD17B10TSHRSMN1; SMN2
SCHEMBL27408432 0.81 ALDH1A1 (0.51) GABRA5GABRB2HSD17B10TSHRSMN1; SMN2
Bromide SCHEMBL7138577 0.80 ALDH1A1 (0.50) GABRA5GABRB2HSD17B10TSHRSMN1; SMN2
SCHEMBL16386280 0.80 CYP2D6 (0.46) TSHRSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL222254 0.80 HSD17B10 (0.64) GABRA5GABRB2HSD17B10TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL6216313 0.78 HSD17B10 (0.62) GABRA5GABRB2HSD17B10TSHRSMN1; SMN2
SCHEMBL1339650 0.77 ABL1 (0.47) GABRA5GABRB2HSD17B10TSHRSMN1; SMN2
SCHEMBL7380564 0.76 GABRA5 (0.64) GABRA5GABRB2HSD17B10TSHRSMN1; 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-4363909-A ANTIVIRAL AGENTS RHONE POULENC INDUSTRIES (FR) 1982-12-14 US disclosed