SCHEMBL29890853

SCHEMBL29890853

O=C(Nc1ccccc1)c1cc2ccccc2cc1O

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.77
KMT2A Q03164 7/20 0.77
RAB9A P51151 6/20 0.77
NPC1 O15118 5/20 0.77
POLB P06746 3/20 0.77
CASP3 P42574 1/20 0.72
SENP7 Q9BQF6 1/20 0.72
SENP6 Q9GZR1 1/20 0.72
PLG P00747 3/20 0.70
KLK1 P06870 2/20 0.70
KLK6 Q92876 2/20 0.70
MAPT P10636 3/20 0.67
MAPK1 P28482 1/20 0.67
APOBEC3A P31941 1/20 0.67
APOBEC3G Q9HC16 1/20 0.67
PLAU P00749 2/20 0.65
LMNA P02545 2/20 0.65
HTT P42858 2/20 0.65
F2 P00734 1/20 0.65
F10 P00742 1/20 0.65

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
SCHEMBL57970 1.00 MEN1 (0.77) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL30084384 1.00 MEN1 (0.77) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL14585765 0.97 MEN1 (0.72) MEN1KMT2ARAB9ANPC1POLB
Phosphoric Acid SCHEMBL15485900 0.95 MEN1 (0.70) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL5426499 0.95 KMT2A (0.84) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL10748621 0.94 KMT2A (0.73) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL8403279 0.92 KMT2A (0.71) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL10597427 0.90 KMT2A (0.73) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL15478030 0.90 KMT2A (0.77) MEN1KMT2ARAB9ANPC1POLB
1,6-Hexanediol SCHEMBL11778707 0.89 MEN1 (0.63) MEN1KMT2ARAB9ANPC1POLB

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
WO-2023088293-A1 USE 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 2023-05-25 WO claimed
EP-4048743-A1 REMOVABLE PRINTING INKS FOR RECYCLABLE PLASTICS Sun Chemical Corporation (US) 2022-08-31 EP claimed
EP-4048743-A1 REMOVABLE PRINTING INKS FOR RECYCLABLE PLASTICS Sun Chemical Corporation (US) 2022-08-31 EP disclosed