SCHEMBL29440797

SCHEMBL29440797

COc1ccc(C(=O)Nc2ccccc2)cc1N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.72
KMT2A Q03164 6/20 0.72
ALDH1A1 P00352 5/20 0.64
CYP3A4 P08684 1/20 0.64
TSHR P16473 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
PDE4A P27815 1/20 0.60
PDE4B Q07343 1/20 0.60
PDE4C Q08493 1/20 0.60
PDE4D Q08499 1/20 0.60
LMNA P02545 2/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 1/20 0.57
CASP3 P42574 3/20 0.56
SENP7 Q9BQF6 3/20 0.56
MAPT P10636 2/20 0.56

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
SCHEMBL610530 1.00 MEN1 (0.72) MEN1KMT2AALDH1A1CYP3A4TSHR
Nitrogen SCHEMBL28359211 0.97 MEN1 (0.69) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL11592458 0.94 KMT2A (0.69) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL16129641 0.92 MEN1 (0.66) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL359029 0.88 MEN1 (0.68) MEN1KMT2AALDH1A1CYP3A4TSHR
Pyrazole SCHEMBL28198970 0.88 MEN1 (0.58) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL17507452 0.87 KMT2A (0.59) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4611238 0.87 MEN1 (0.63) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL11147327 0.87 POLB (0.63) MEN1KMT2AALDH1A1TDP1LMNA
SCHEMBL6818005 0.87 NPC1 (0.68) MEN1KMT2AALDH1A1CYP3A4LMNA

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
CN-114085543-A Application of quaternary ammonium salt derivative in preparation of red pigment, red pigment and preparation method 龙口联合化学股份有限公司 2022-02-25 CN disclosed