SCHEMBL11136818

SCHEMBL11136818

O=C(O)c1nnncc1Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 1/20 0.45
▸ MAPT P10636 4/20 0.42
▸ GFER P55789 2/20 0.42
▸ NGLY1 Q96IV0 1/20 0.42
▸ HCAR3 P49019 2/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ ILK Q13418 1/20 0.39
▸ EGFR P00533 1/20 0.38

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
SCHEMBL23486417 0.78 FABP4 (0.46) FABP4MAPTGFERNGLY1HCAR3
SCHEMBL6194939 0.75 HSD17B10 (0.41) MAPTGFERGAAKDM4EALDH1A1
SCHEMBL3525990 0.69 DHODH (0.56) FABP4MAPTGFERNGLY1HCAR3
SCHEMBL10917448 0.68 FABP4 (0.46) FABP4MAPTGFERNGLY1HCAR3
SCHEMBL4907684 0.67 GRM5 (0.49) FABP4MAPTGFERNGLY1HCAR3
SCHEMBL2732654 0.66 KDM4E (0.38) MAPTKDM4CKDM4EALDH1A1THRB
SCHEMBL11398163 0.65 KDM4E (0.39) MAPTGFERKDM4CKDM4EALDH1A1
SCHEMBL351705 0.65 MAPT (0.79) FABP4MAPTGFERNGLY1GAA
SCHEMBL20928637 0.65 MAPT (0.31) MAPTALDH1A1HSD17B10
Fenamic Acid SCHEMBL25828 0.65 FABP4 (0.92) FABP4MAPTGFERNGLY1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4418015-A Phthalocyanine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1983-11-29 — — US disclosed
EP-0053320-A2 Process for the preparation of phthalocyanin compounds BAYER AG (DE) 1982-06-09 — — EP disclosed
EP-0047863-A2 Reactive phthalocyanine hyes, process for their preparation and their use in dyeing materials containing hydroxyle groups and/or nitrogen BAYER AG (DE) 1982-03-24 — — EP disclosed
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