SCHEMBL13957453

SCHEMBL13957453

N=Cc1c[nH]c2ccc(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.56
▸ CAPN2 P17655 1/20 0.56
▸ GPR84 Q9NQS5 2/20 0.55
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ MPO P05164 6/20 0.51
▸ HTR2A P28223 3/20 0.49
▸ TRPM8 Q7Z2W7 1/20 0.49
▸ HTR1A P08908 2/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ HTR2B P41595 2/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ HTR1D P28221 1/20 0.47

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
SCHEMBL208051 0.83 CAPN1 (0.59) CAPN1CAPN2GPR84KMT2AMEN1
SCHEMBL29935857 0.83 CAPN1 (0.59) CAPN1CAPN2GPR84KMT2AMEN1
SCHEMBL3741787 0.83 KMT2A (0.56) CAPN1CAPN2GPR84KMT2AMEN1
SCHEMBL28600077 0.80 CAPN1 (0.52) CAPN1CAPN2GPR84KMT2AMEN1
SCHEMBL3688400 0.79 HPGD (0.60) CAPN1CAPN2GPR84KMT2AMEN1
SCHEMBL3688403 0.79 HPGD (0.60) CAPN1CAPN2GPR84KMT2AMEN1
SCHEMBL19178972 0.76 TDO2 (0.78) CAPN1CAPN2GPR84KMT2AMEN1
SCHEMBL31448093 0.76 TDO2 (0.78) CAPN1CAPN2GPR84KMT2AMEN1
SCHEMBL21665304 0.76 CAPN1 (0.59) CAPN1CAPN2GPR84KMT2AMEN1
SCHEMBL28933481 0.76 CAPN1 (0.52) CAPN1CAPN2GPR84KMT2AMEN1

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-2009015067-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 — — WO disclosed
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