SCHEMBL24508648

SCHEMBL24508648

Cc1cccc(-c2ncsc2C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
PKM P14618 1/20 0.49
KMO O15229 2/20 0.48
RORB Q92753 4/20 0.47
PIN1 Q13526 1/20 0.43
RORC P51449 1/20 0.43
CTSA P10619 1/20 0.41
MAPK14 Q16539 2/20 0.41
DHODH Q02127 1/20 0.41
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
ADORA1 P30542 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
NR4A2 P43354 1/20 0.40
RXRG P48443 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL13494111 0.83 RORB (0.50) KDM4EPKMKMORORBRORC
SCHEMBL269858 0.82 KDM4E (0.53) KDM4EPKMRORBRORCDHODH
SCHEMBL24508639 0.82 JAK2 (0.51) KDM4ERORBDHODHALDH1A1HPGD
SCHEMBL24508717 0.82 ALDH1A2 (0.50) KDM4EPKMKMORORBPIN1
SCHEMBL14564467 0.81 KDM4E (0.55) KDM4EPKMALDH1A1HPGDSMN1; SMN2
SCHEMBL24508643 0.78 RORB (0.67) KDM4EKMORORBPIN1RORC
SCHEMBL25779068 0.78 FNTA (0.49) RORBPIN1RORCADORA1
SCHEMBL1398685 0.76 MAPK14 (0.52) KDM4EKMOPIN1MAPK14DHODH
SCHEMBL1338215 0.76 KDM4E (0.69) KDM4EKMOPIN1CTSADHODH
SCHEMBL17843989 0.76 KDM4E (0.49) KDM4EPKMALDH1A1HPGDSMN1; SMN2

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
WO-2022123039-A1 ALDEHYDE DEHYDROGENASE INHIBITORS AND THEIR THERAPEUTIC USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-06-16 WO disclosed