SCHEMBL31372241

SCHEMBL31372241

O=C(CCl)Oc1ccc2c(c1)CCCN2C(=O)CCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.51
▸ ESR1 P03372 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PDK1 Q15118 3/20 0.44
▸ PDK2 Q15119 3/20 0.44
▸ PDK3 Q15120 3/20 0.44
▸ PDK4 Q16654 3/20 0.44

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
SCHEMBL30488348 0.89 HSD17B10 (0.53) HSD17B10ESR1ADORA3CHRM1ADORA1
SCHEMBL11846346 0.86 ESR1 (0.65) HSD17B10ESR1ADORA3CHRM1ADORA1
SCHEMBL29440297 0.86 HSD17B10 (0.70) HSD17B10KDM4EMEN1KMT2AMAPT
SCHEMBL21107652 0.86 HSD17B10 (0.70) HSD17B10KDM4EMEN1KMT2AMAPT
SCHEMBL29040439 0.82 MAPT (0.52) HSD17B10KDM4EMEN1KMT2ATP53
SCHEMBL22075942 0.82 TSHR (0.56) HSD17B10KDM4EMEN1KMT2ATP53
SCHEMBL30457845 0.82 MAPT (0.52) HSD17B10KDM4EMEN1KMT2ATP53
SCHEMBL30369541 0.82 TSHR (0.56) HSD17B10KDM4EMEN1KMT2ATP53
SCHEMBL11844466 0.82 ESR1 (0.74) HSD17B10ESR1ADORA3CHRM1ADORA1
SCHEMBL30457737 0.81 PDK1 (0.64) HSD17B10KDM4EMEN1KMT2ATP53

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-2025034789-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK DEGRADERS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2025-02-13 — — WO disclosed
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