SCHEMBL11596891

SCHEMBL11596891

Cc1cccc(NC(=O)c2nnn[nH]2)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 10/20 0.57
▸ RAB9A P51151 3/20 0.55
▸ MAPT P10636 1/20 0.53
▸ NPC1 O15118 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ SORT1 Q99523 1/20 0.50

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
SCHEMBL11606669 0.90 KMT2A (0.51) GRM5MAPTALDH1A1HPGDHSD17B10
SCHEMBL11613075 0.88 KMT2A (0.50) GRM5MAPTALDH1A1HPGDHSD17B10
SCHEMBL11597962 0.80 GRM5 (0.45) GRM5
SCHEMBL9595952 0.77 KMT2A (0.42) GRM5RAB9AMAPTNPC1ALDH1A1
SCHEMBL11597389 0.77 NPC1 (0.57) GRM5RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL13296220 0.75 GRM5 (0.82) GRM5RAB9AMAPTNPC1HSD17B10
SCHEMBL9829998 0.74 GRM5 (0.44) GRM5RAB9AMAPTNPC1ALDH1A1
SCHEMBL3860067 0.73 GRM5 (1.00) GRM5RAB9AMAPTNPC1HPGD
SCHEMBL9603380 0.73 KMT2A (0.42) GRM5RAB9ANPC1SMN1; SMN2
SCHEMBL9832511 0.73 CDK5 (0.55) GRM5RAB9AMAPTNPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4112101-A N-(Pyridyl)-1H-(or 2H) tetrazole-5-carboxamide derivatives for the prevention of immediate type hypersensitivity reactions AMERICAN HOME PRODUCTS CORPORATION (US) 1978-09-05 — — US claimed
US-4112101-A N-(Pyridyl)-1H-(or 2H) tetrazole-5-carboxamide derivatives for the prevention of immediate type hypersensitivity reactions AMERICAN HOME PRODUCTS CORPORATION (US) 1978-09-05 — — US disclosed
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