SCHEMBL23716135

SCHEMBL23716135

NC(=O)C(NNOc1cccc(Br)c1)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
SYK P43405 1/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
PPARG P37231 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CTSL P07711 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 1/20 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
SCHEMBL23715793 0.88 SYK (0.45) KMT2ASYKCYP1A2GAAMAPT
SCHEMBL23716193 0.88 OGG1 (0.44) KMT2APOLBPPARGALDH1A1PARP1
SCHEMBL23716330 0.81 MDM2 (0.38) KMT2AMEN1PPARGNPC1ALDH1A1
SCHEMBL23715916 0.81 OGG1 (0.44) CYP1A2GAAMAPTALDH1A1
SCHEMBL23716111 0.79 OGG1 (0.45) SYKPARP1
SCHEMBL23715975 0.70 SIRT1 (0.42) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL23716117 0.68 OGG1 (0.38) PPARGCNR1
SCHEMBL23715928 0.68 IDO1 (0.39) KMT2ACYP1A2GAAMAPTRECQL
SCHEMBL23715777 0.66 GPR88 (0.42)
SCHEMBL23716167 0.65 FFAR2 (0.47) CYP1A2NPC1ALDH1A1CNR1

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
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed