SCHEMBL9653137

SCHEMBL9653137

CCCSc1ncc(C(=O)OCC)c(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 14/20 0.58
▸ AGTR2 P50052 14/20 0.58
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 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
SCHEMBL9592999 0.88 AGTR1 (0.74) AGTR1AGTR2MAPTSMN1; SMN2RAB9A
SCHEMBL9592779 0.86 AGTR1 (0.75) AGTR1AGTR2MAPTSMN1; SMN2NPSR1
SCHEMBL9590776 0.86 AGTR1 (0.75) AGTR1AGTR2MAPTSMN1; SMN2RAB9A
SCHEMBL9592385 0.85 AGTR1 (0.76) AGTR1AGTR2MAPTSMN1; SMN2NPSR1
SCHEMBL9655098 0.85 AGTR1 (0.64) AGTR1AGTR2MAPTSMN1; SMN2NPSR1
SCHEMBL9590611 0.84 AGTR1 (0.76) AGTR1AGTR2MAPTSMN1; SMN2NPSR1
SCHEMBL9655137 0.84 AGTR1 (0.57) AGTR1AGTR2MAPTSMN1; SMN2RAB9A
SCHEMBL9654340 0.84 AGTR1 (0.57) AGTR1AGTR2MAPTSMN1; SMN2RAB9A
SCHEMBL9592532 0.83 AGTR1 (0.76) AGTR1AGTR2MAPTSMN1; SMN2NPSR1
SCHEMBL9654399 0.83 AGTR1 (0.67) AGTR1AGTR2MAPTSMN1; SMN2NPSR1

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
WO-1992014468-A1 PSORIASIS TREATMENT ABBOTT LABORATORIES (US) 1992-09-03 — — WO disclosed
US-5104877-A Psoriasis treatment ABBOTT LABORATORIES (US) 1992-04-14 — — US disclosed
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