SCHEMBL21549811

SCHEMBL21549811

Cc1cc(F)c2[nH]c(=O)c(CN)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ HSD17B10 Q99714 6/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ GUSB P08236 3/20 0.36
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ GRIN3A Q8TCU5 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL18744798 0.81 HRH4 (0.40) KDM4EALDH1A1HSD17B10GRIN2DGRIN3B
SCHEMBL27764047 0.71 KDM4E (0.64) KDM4EALDH1A1HSD17B10KMT2AHPGD
SCHEMBL22408257 0.70 KMT2A (0.33) KDM4EALDH1A1KMT2AHPGDTDP1
SCHEMBL22185228 0.70 HRH4 (0.43) KDM4EALDH1A1HSD17B10GRIN2DGRIN3B
SCHEMBL17505152 0.70 GPR84 (0.37) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL12559602 0.68 CA12 (0.55) KDM4EHSD17B10GRIN2DGRIN3BGRIN1
SCHEMBL24876192 0.67 GRIN2D (0.68) KDM4EALDH1A1HSD17B10GRIN2DGRIN3B
SCHEMBL31236126 0.67 GRIN2D (0.68) KDM4EALDH1A1HSD17B10GRIN2DGRIN3B
SCHEMBL5455174 0.66 KDM4E (0.52) KDM4EALDH1A1HSD17B10KMT2ATAAR1
SCHEMBL12970080 0.66 BRD4 (0.43) ALDH1A1HSD17B10GRIN2DGRIN3BGRIN1

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-3194383-B1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS INC (US) 2019-11-06 — — EP disclosed
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