SCHEMBL10600299

SCHEMBL10600299

COc1c(C)cc(-c2[nH]c3ccc([N+](=O)[O-])cc3c2C)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
PKM P14618 1/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
CTSV O60911 2/20 0.50
CTSL P07711 2/20 0.50
ALOX5 P09917 1/20 0.50
MAPT P10636 5/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
PARP1 P09874 1/20 0.45
CCNB2 O95067 3/20 0.44
CDK1 P06493 3/20 0.44
CCNB1 P14635 3/20 0.44
GSK3B P49841 3/20 0.44
CDK5 Q00535 3/20 0.44

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
SCHEMBL10602238 0.85 ALOX5 (0.59) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL2422728 0.80 ALDH1A1 (0.62) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL10605517 0.78 ALOX5 (0.56) ALDH1A1ALOX5MAPTKDM4EPARP1
SCHEMBL10600031 0.77 ALOX5 (0.54) ALDH1A1MEN1KMT2AALOX5MAPT
SCHEMBL4011471 0.73 ALDH1A1 (0.68) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL30312308 0.73 ALDH1A1 (0.68) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL9208428 0.72 MEN1 (0.54) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL30671836 0.71 KMT2A (0.48) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL10759195 0.71 BRD4 (0.50) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL17817428 0.71 MAPT (0.58) ALDH1A1MEN1KMT2APOLBPKM

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
EP-0173279-B1 2-(3,5-DIALKYL-4-HYDROXYPHENYL)INDOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 1989-08-23 EP disclosed
US-4695581-A LIPOXYGENASE INHIBITOR TEIKOKU HORMONE MFG. CO., LTD. (JP) 1987-09-22 US disclosed
EP-0173279-A1 2-(3,5-Dialkyl-4-hydroxyphenyl)indole derivatives TEIKOKU HORMONE MFG. CO., LTD. (JP) 1986-03-05 EP disclosed