SCHEMBL21043463

SCHEMBL21043463

C=Cc1cn(Cc2ccc(OC(F)(F)F)cc2)c2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.40
▸ RXRA P19793 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ SERPINE1 P05121 3/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TEAD1 P28347 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ PTGER4 P35408 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ PRCP P42785 3/20 0.35
▸ KLKB1 P03952 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
SCHEMBL22001746 0.89 ALDH1A1 (0.44) METRXRAGRIN1GRIN2BSERPINE1
SCHEMBL21043141 0.76 CHRM1 (0.53) CHRM1ALDH1A1KDM4E
SCHEMBL28467279 0.71 ALDH1A1 (0.68) SERPINE1ALDH1A1NPC1MAPTRAB9A
SCHEMBL21042783 0.71 ALDH1A1 (0.64) CHRM1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL22001176 0.69 ALDH1A1 (0.48) CHRM1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL28525408 0.69 ALDH1A1 (0.60) SERPINE1ALDH1A1NPC1MAPTRAB9A
SCHEMBL16593359 0.69 CHRM1 (0.80) CHRM1
SCHEMBL21043133 0.69 SMN1; SMN2 (0.50) CHRM1ALDH1A1NPC1GAAMAPT
SCHEMBL21490267 0.68 HTT (0.64) ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL21043055 0.67 CYP19A1 (0.45) CHRM1ALDH1A1KDM4ENPC1MAPT

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-3489237-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2019-05-29 — — EP disclosed
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