SCHEMBL11212779

SCHEMBL11212779

COc1cc(N)c(C)cc1/N=N/c1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.49
▸ ALDH1A1 P00352 7/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ CYP3A4 P08684 3/20 0.42
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PMM2 O15305 1/20 0.39
▸ MPI P34949 1/20 0.39

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
SCHEMBL11212784 1.00 TSHR (0.49) TSHRALDH1A1CYP1A2MEN1KMT2A
SCHEMBL9073649 0.85 TSHR (0.49) TSHRALDH1A1CYP1A2MEN1KMT2A
SCHEMBL591557 0.85 TSHR (0.49) TSHRALDH1A1CYP1A2MEN1KMT2A
SCHEMBL21339523 0.84 ALDH1A1 (0.40) TSHRALDH1A1CYP1A2MEN1KMT2A
SCHEMBL24594401 0.83 ALDH1A1 (0.43) TSHRALDH1A1CYP1A2MEN1KMT2A
SCHEMBL10079080 0.83 ALDH1A1 (0.43) TSHRALDH1A1CYP1A2MEN1KMT2A
SCHEMBL12166369 0.81 ALDH1A1 (0.44) TSHRALDH1A1CYP1A2MEN1KMT2A
SCHEMBL13593603 0.81 ALDH1A1 (0.43) TSHRALDH1A1CYP1A2MEN1KMT2A
SCHEMBL24594127 0.81 ALDH1A1 (0.43) TSHRALDH1A1CYP1A2MEN1KMT2A
SCHEMBL19041078 0.79 ALDH1A1 (0.40) TSHRALDH1A1CYP1A2MEN1KMT2A

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-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 — — US disclosed
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