SCHEMBL11788889

SCHEMBL11788889

COc1cc(N)c(C)cc1Nc1ccc(O)cc1NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.42
▸ HSD17B1 P14061 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ RET P07949 1/20 0.37
▸ KIF5B P33176 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ ABCC1 P33527 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PYGL P06737 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL11785259 0.85 MEN1 (0.39) PTK2HSD17B1HSD17B2KMT2AMEN1
SCHEMBL6815196 0.83 MEN1 (0.51) HSD17B1HSD17B2KMT2AMEN1ALDH1A1
SCHEMBL14782205 0.77 HSD17B1 (0.57) HSD17B1HSD17B2KMT2AMEN1ALDH1A1
SCHEMBL11785811 0.76 GAA (0.44) PTK2HSD17B1HSD17B2KMT2AMEN1
SCHEMBL24405268 0.74 ALDH1A1 (0.48) HSD17B1HSD17B2KMT2AMEN1ALDH1A1
SCHEMBL11849871 0.74 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL11644816 0.74 TNIK (0.45) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL10534559 0.74 PYGL (0.57) HSD17B1HSD17B2KMT2AMEN1ALDH1A1
SCHEMBL11877092 0.72 MEN1 (0.55) HSD17B1HSD17B2KMT2AMEN1ALDH1A1
Sulfuric Acid SCHEMBL3447706 0.72 HSD17B1 (0.52) HSD17B1HSD17B2KMT2AMEN1ALDH1A1

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
US-3953508-A Diphenylamines for dyeing keratinous fibers L'OREAL (FR) 1976-04-27 — — US disclosed
Send feedback