SCHEMBL10623045

SCHEMBL10623045

CNc1c(C)cc([N+](=O)[O-])cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.52
▸ ALDH1A1 P00352 7/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ MAPT P10636 4/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ GPR35 Q9HC97 1/20 0.50
▸ HTR1D P28221 1/20 0.49
▸ HTR1B P28222 1/20 0.49
▸ CYP3A4 P08684 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ CYP19A1 P11511 1/20 0.44
▸ CYTH2 Q99418 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ACHE P22303 2/20 0.41
▸ CRHBP P24387 2/20 0.40

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
SCHEMBL14088941 0.87 ALDH1A1 (0.52) TSHRALDH1A1TDP1MAPTMAPK1
SCHEMBL2105183 0.81 TSHR (0.61) TSHRALDH1A1TDP1MAPTMAPK1
SCHEMBL3305172 0.78 MAPT (0.51) TSHRALDH1A1TDP1MAPTMAPK1
SCHEMBL30613334 0.78 MAPT (0.51) TSHRALDH1A1TDP1MAPTMAPK1
SCHEMBL18415443 0.78 ALDH1A1 (0.53) TSHRALDH1A1TDP1MAPTMAPK1
SCHEMBL10499633 0.78 TDP1 (0.47) TSHRALDH1A1TDP1MAPTMAPK1
SCHEMBL17997748 0.78 ALDH1A1 (0.50) TSHRALDH1A1TDP1MAPTMAPK1
SCHEMBL768569 0.77 ALDH1A1 (0.60) TSHRALDH1A1TDP1MAPTMAPK1
SCHEMBL1772369 0.77 ALDH1A1 (0.50) TSHRALDH1A1TDP1MAPTL3MBTL1
SCHEMBL10879675 0.77 ALDH1A1 (0.59) TSHRALDH1A1TDP1MAPTMAPK1

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-4736067-A DIRECT AND OXIDATION HAIR DYES L'OREAL (FR) 1988-04-05 — — US disclosed
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