SCHEMBL26517034

SCHEMBL26517034

CC1Cc2ccccc2N(C(N)=O)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.51
HSD17B3 P37058 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
AADAT Q8N5Z0 2/20 0.41
GOT1 P17174 1/20 0.41
KYAT1 Q16773 1/20 0.41
KYAT3 Q6YP21 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
TSHR P16473 1/20 0.40
MCL1 Q07820 1/20 0.39

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
SCHEMBL21172644 0.85 NOTUM (0.61) NOTUMHSD17B3SMN1; SMN2MTNR1AMTNR1B
SCHEMBL21172497 0.85 NOTUM (0.61) NOTUMHSD17B3SMN1; SMN2MTNR1AMTNR1B
SCHEMBL21172618 0.81 NOTUM (0.49) NOTUMSMN1; SMN2ALDH1A1MTNR1AMTNR1B
SCHEMBL26517033 0.81 NOTUM (0.49) NOTUMSMN1; SMN2ALDH1A1MTNR1AMTNR1B
SCHEMBL23917466 0.81 NOTUM (0.49) NOTUMSMN1; SMN2ALDH1A1MTNR1AMTNR1B
SCHEMBL23917198 0.80 NOTUM (0.48) NOTUMHSD17B3SMN1; SMN2ALDH1A1MTNR1A
SCHEMBL7352202 0.80 AVPR2 (0.56) NOTUMHSD17B3SMN1; SMN2ALDH1A1TSHR
SCHEMBL16353667 0.79 NOTUM (0.47) NOTUMSMN1; SMN2
SCHEMBL23917280 0.79 NOTUM (0.47) NOTUMHSD17B3SMN1; SMN2ALDH1A1MTNR1A
SCHEMBL16353535 0.79 NOTUM (0.47) NOTUMSMN1; 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-2023192375-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. (US) 2023-10-05 WO disclosed