SCHEMBL23992170

SCHEMBL23992170

Cc1ccc(C(=O)Nc2ccc(F)cc2C)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
HDAC3 O15379 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
NCOR2 Q9Y618 4/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
THRB P10828 1/20 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
SCHEMBL23992177 0.86 HDAC1 (0.62) HDAC3HDAC1HDAC2NCOR2
SCHEMBL21096059 0.79 SMN1; SMN2 (0.70) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4860120 0.77 NPC1 (0.57) KDM4ELMNANPC1RAB9AALDH1A1
SCHEMBL9979393 0.77 CYP1A2 (0.55) KDM4EHDAC3HDAC1HDAC2NCOR2
SCHEMBL18160392 0.76 L3MBTL1 (0.59) NPC1RAB9ASMN1; SMN2GAATAS1R3
SCHEMBL169574 0.76 ALOX15 (0.47) KDM4ELMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL15296458 0.75 ALDH1A1 (0.52) KDM4ELMNAALDH1A1SMN1; SMN2THRB
SCHEMBL4858193 0.75 F10 (0.64) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL15886228 0.74 NPC1 (0.59) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL24460185 0.74 KCNMA1 (0.56) KDM4ELMNANPC1RAB9AALDH1A1

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-2021219040-A1 HISTONE DEACETYLASE INHIBITORS FOR IMMUNOMODULATION IN TUMOR MICROENVIRONMENT GNT BIOTECH & MEDICALS CORPORATION (CN) 2021-11-04 WO disclosed