SCHEMBL9857650

SCHEMBL9857650

O=C(N/C=C(\c1ccccc1)c1ccco1)c1sc2ccc(C(F)(F)F)cc2c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 4/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
SRPK1 Q96SB4 1/20 0.36
RAB9A P51151 5/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
SENP5 Q96HI0 1/20 0.36
SENP2 Q9HC62 1/20 0.36
SENP1 Q9P0U3 1/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.35

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
SCHEMBL9857659 1.00 TSHR (0.39) TSHRNPSR1USP2HPGDMAPT
SCHEMBL9857661 0.85 KDM4E (0.40) MAPTRAB9AKDM4ERXFP1KCNK3
SCHEMBL10681141 0.82 RAB9A (0.38) TSHRNPSR1ALDH1A1SRPK1RAB9A
SCHEMBL9857207 0.82 MAOB (0.45) MAPTALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL6008813 0.82 RAB9A (0.38) TSHRNPSR1ALDH1A1SRPK1RAB9A
SCHEMBL9857203 0.82 MAOB (0.45) MAPTALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL6008817 0.82 RAB9A (0.38) TSHRNPSR1ALDH1A1SRPK1RAB9A
SCHEMBL9857805 0.81 KDM4E (0.40) MAPTRAB9AKDM4EKMT2AMEN1
SCHEMBL9857261 0.78 MAPT (0.44) MAPTSMN1; SMN2RAB9AKDM4EKMT2A
SCHEMBL10626882 0.76 NPC1 (0.42) MAPTALDH1A1SMN1; SMN2RAB9AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5068248-A Analgesics, antipyretics and antiinflammatory agents MERCK & CO., INC. (US) 1991-11-26 US disclosed
EP-0160408-B1 BENZOTHIOPHENES, THEIR PRODUCTION AND USE, AND COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1989-08-23 EP disclosed
US-4760086-A N-alkenyl-3-hydroxybenzo[b]thiophene-2-carboxamide derivatives as dual cyclooxygenase and lipoxygenase inhibitors MERCK & CO., INC. (US) 1988-07-26 US disclosed
EP-0160408-A1 Benzothiophenes, their production and use, and compositions containing them MERCK & CO. INC. (US) 1985-11-06 EP disclosed