SCHEMBL9792240

SCHEMBL9792240

O=C(c1ccsc1)c1ccc(Cl)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ LCK P06239 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ DAO P14920 1/20 0.46
▸ HDAC1 Q13547 1/20 0.42
▸ HPGD P15428 1/20 0.37
▸ CHRM2 P08172 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ KCNK3 O14649 1/20 0.33

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
SCHEMBL11058234 0.76 CES2 (0.43) CES2CES1LCKFYNDAO
SCHEMBL2166098 0.74 CES2 (0.71) CES2CES1LCKFYNDAO
SCHEMBL11059408 0.74 CES2 (0.42) CES2CES1LCKFYNDAO
SCHEMBL9792295 0.74 MEN1 (0.50) CES2CES1DAONPC1RAB9A
SCHEMBL9792211 0.74 SRD5A2 (0.50) CES2CES1HPGDNPC1RAB9A
SCHEMBL20448559 0.71 SRD5A2 (0.55) CES2CES1LCKFYNDAO
SCHEMBL9689329 0.70 CES2 (0.48) CES2CES1LCKFYNDAO
Oxalic Acid SCHEMBL6968596 0.69 LCK (0.67) CES2CES1LCKFYNDAO
SCHEMBL9792275 0.68 ALDH1A1 (0.37) HDAC1NPC1RAB9A
Oxalic Acid SCHEMBL6968894 0.67 LCK (0.64) CES2CES1LCKFYNDAO

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-4988822-A Intermediates for preparing 5-aroyl-1,2-dihydro-3H-pyrrolo(1,2-A)pyrrole-1,1-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1991-01-29 — — US disclosed
US-4873340-A Process for preparing 5-aroyl-1,2-dihydro-3H-pyrrolo[1,2-A]pyrrole-1,1-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1989-10-10 — — US disclosed
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