SCHEMBL24594401

SCHEMBL24594401

COc1cc(N=Nc2ccc(C)cc2[N+](=O)[O-])c(C)cc1N=Nc1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 7/20 0.41
▸ MAPK1 P28482 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ PMM2 O15305 1/20 0.37
▸ MPI P34949 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL10079080 1.00 ALDH1A1 (0.43) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL21339523 0.93 ALDH1A1 (0.40) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL19041078 0.93 ALDH1A1 (0.40) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL24594127 0.93 ALDH1A1 (0.43) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL13593603 0.93 ALDH1A1 (0.43) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL12133348 0.92 MEN1 (0.43) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL13644724 0.90 ALDH1A1 (0.38) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL16905357 0.89 ALDH1A1 (0.37) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL18211417 0.89 ALDH1A1 (0.38) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL16908127 0.88 ALDH1A1 (0.37) ALDH1A1CYP1A2MEN1KMT2AMAPT

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
EP-3283499-B1 DUAL QUENCHER PROBES BIOSEARCH TECH INC (US) 2022-07-06 — — EP disclosed
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