SCHEMBL27323985

SCHEMBL27323985

C=CCSc1n[nH]cc1O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2126086 0.79 HPGD (0.35) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL10965679 0.68 SMN1; SMN2 (0.40) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2088731 0.67 — —
SCHEMBL11465894 0.64 RAB9A (0.38) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11876056 0.63 MEN1 (0.42) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL251258 0.62 — —
SCHEMBL7706948 0.62 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1KMT2AKDM4EMAPT
SCHEMBL1195209 0.62 — —
SCHEMBL7152688 0.62 — —
SCHEMBL10639474 0.60 L3MBTL1 (0.38) HPGDALDH1A1MEN1KMT2AL3MBTL1

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
CN-1033805-C Substituted pyrazolyl pyrazole, its preparation process and intermediate, and application as herbicide SCHERING AG (DE) 1997-01-15 — — CN disclosed
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