SCHEMBL10455842

SCHEMBL10455842

OC(=S)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CES2 O00748 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ NQO2 P16083 1/20 0.42
▸ TMPRSS4 Q9NRS4 6/20 0.41
▸ P2RX1 P51575 6/20 0.40
▸ P2RX4 Q99571 2/20 0.40
▸ P2RX7 Q99572 2/20 0.40
▸ MPL P40238 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ SLC2A1 P11166 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37

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
SCHEMBL2960949 0.84 ALDH1A1 (0.46) MEN1KMT2ACES2KDM4EALDH1A1
SCHEMBL9636450 0.80 ALDH1A1 (0.57) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL130628 0.80 ALDH1A1 (0.59) MEN1KMT2ACES2KDM4EALDH1A1
SCHEMBL10786191 0.78 ALDH1A1 (0.58) MEN1KMT2ACES2KDM4EALDH1A1
SCHEMBL10746225 0.78 L3MBTL1 (0.44) MEN1KMT2ACES2NQO2TMPRSS4
SCHEMBL8301631 0.76 RXRA (0.47) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10455841 0.74 CES2 (0.52) MEN1KMT2ACES2KDM4EALDH1A1
SCHEMBL320481 0.74 CES2 (0.52) MEN1KMT2ACES2KDM4EALDH1A1
SCHEMBL28836879 0.74 CES2 (0.47) MEN1KMT2ACES2KDM4EALDH1A1
SCHEMBL17141748 0.74 MEN1 (0.43) MEN1KMT2ACES2KDM4EALDH1A1

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-4956370-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-09-11 — — US disclosed
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