SCHEMBL18171695

SCHEMBL18171695

C=CCC(=O)c1ccccc1.O=C(c1ccccc1)c1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NAPRT Q6XQN6 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
HSD17B14 Q9BPX1 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
GPR52 Q9Y2T5 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4555882 0.82 CES2 (0.53) KMT2ALMNAL3MBTL1NAPRTP4HTM
Benzophenone SCHEMBL18171700 0.82 ALDH1A1 (0.56) KMT2ALMNAL3MBTL1RAB9AKDM4E
SCHEMBL398165 0.82 KMT2A (1.00) KMT2ALMNAL3MBTL1NAPRTP4HTM
SCHEMBL29373829 0.82 KMT2A (1.00) KMT2ALMNAL3MBTL1NAPRTP4HTM
Hydrochloric Acid SCHEMBL4912576 0.81 CES2 (0.52) KMT2ALMNAL3MBTL1NAPRTP4HTM
SCHEMBL28015961 0.81 KMT2A (0.96) KMT2ALMNAL3MBTL1NAPRTP4HTM
SCHEMBL28005707 0.81 KMT2A (0.96) KMT2ALMNAL3MBTL1NAPRTP4HTM
SCHEMBL367640 0.80 AKT1 (0.58) KMT2ALMNAL3MBTL1NAPRTNPC1
SCHEMBL8189830 0.79 AKT1 (0.56) KMT2ALMNAL3MBTL1NPC1RAB9A
SCHEMBL28658433 0.76 KMT2A (0.57) KMT2ALMNAL3MBTL1NAPRTP4HTM

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11083192-B2 Fertilizer and agrochemical formulation MITSUI CHEMICALS AGRO, INC. (JP) 2021-08-10 US claimed
US-20190320651-A1 FERTILIZER AND AGROCHEMICAL FORMULATION MITSUI CHEMICALS AGRO, INC. (JP) 2019-10-24 US claimed
US-10375951-B2 Fertilizer and agrochemical formulation MITSUI CHEMICALS AGRO, INC. (JP) 2019-08-13 US claimed
US-20180139954-A1 FERTILIZER AND AGROCHEMICAL FORMULATION MITSUI CHEMICALS AGRO, INC. (JP) 2018-05-24 US claimed
CN-107787183-A Fertilizer and agrochemical formulations 三井化学AGRO株式会社 2018-03-09 CN claimed
WO-2016170784-A1 FERTILIZER AND AGROCHEMICAL FORMULATION MITSUI CHEMICALS AGRO, INC. (JP) 2016-10-27 WO claimed
CN-113767898-B Fertilizer and agrochemical formulations 三井化学AGRO株式会社 2023-01-17 CN disclosed
CN-113767898-A Fertilizer and agrochemical formulations 三井化学AGRO株式会社 2021-12-10 CN disclosed
CN-107787183-B Fertilizer and agrochemical formulations 三井化学AGRO株式会社 2021-10-08 CN disclosed
US-11083192-B2 Fertilizer and agrochemical formulation MITSUI CHEMICALS AGRO, INC. (JP) 2021-08-10 US disclosed
US-20190320651-A1 FERTILIZER AND AGROCHEMICAL FORMULATION MITSUI CHEMICALS AGRO, INC. (JP) 2019-10-24 US disclosed
US-10375951-B2 Fertilizer and agrochemical formulation MITSUI CHEMICALS AGRO, INC. (JP) 2019-08-13 US disclosed
US-20180139954-A1 FERTILIZER AND AGROCHEMICAL FORMULATION MITSUI CHEMICALS AGRO, INC. (JP) 2018-05-24 US disclosed
CN-107787183-A Fertilizer and agrochemical formulations 三井化学AGRO株式会社 2018-03-09 CN disclosed
WO-2016170784-A1 FERTILIZER AND AGROCHEMICAL FORMULATION MITSUI CHEMICALS AGRO, INC. (JP) 2016-10-27 WO disclosed