Toluene

Toluene

SCHEMBL22973769

Cc1ccccc1.O=C=Nc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
ACHE P22303 1/20 0.50
CYP3A4 P08684 3/20 0.45
MIF P14174 1/20 0.44
TRPA1 O75762 1/20 0.44
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MEN1 O00255 2/20 0.33

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
Toluene SCHEMBL28840552 0.95 CYP3A4 (0.50) TSHRLMNAALOX12ACHECYP3A4
Toluene SCHEMBL2054280 0.94 TSHR (0.44) TSHRLMNAALOX12ACHECYP3A4
SCHEMBL11151377 0.93 CYP3A4 (0.48) TSHRLMNAALOX12ACHECYP3A4
Toluene SCHEMBL3417699 0.90 MIF (0.47) TSHRLMNAALOX12ACHECYP3A4
Toluene SCHEMBL10829701 0.89 CYP3A4 (0.41) TSHRLMNAALOX12ACHECYP3A4
Ethane SCHEMBL6323027 0.88 CYP3A4 (0.50) TSHRLMNACYP3A4MIFTRPA1
SCHEMBL1332539 0.88
SCHEMBL245090 0.88 MIF (0.55) TSHRLMNACYP3A4MIFTRPA1
Benzene SCHEMBL11510532 0.88 MIF (0.55) TSHRLMNACYP3A4MIFTRPA1
SCHEMBL5925 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802175-B2 Epoxy resin modified with polyurethane in low concentration, production method therefor, epoxy resin composition, and cured object NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-10-31 US disclosed
EP-3778691-B1 EPOXY RESIN MODIFIED WITH POLYURETHANE IN LOW CONCENTRATION, PRODUCTION METHOD THEREFOR, EPOXY RESIN COMPOSITION, AND CURED OBJECT NIPPON STEEL CHEMICAL & MAT CO LTD (JP) 2023-01-25 EP disclosed
CN-114502647-A Epoxy resin composition and cured product 日铁化学材料株式会社 2022-05-13 CN disclosed
CN-114057635-A 2-aryl ureido-N- [2- (2-methoxyphenoxy) ethyl ] nicotinamide compound and application thereof 沈阳药科大学 2022-02-18 CN disclosed
CN-113979935-A 2-aryl ureido-N- (4-fluorobenzyl) nicotinamide compound and application thereof 沈阳药科大学 2022-01-28 CN disclosed
WO-2021060226-A1 EPOXY RESIN COMPOSITION AND CURED PRODUCT 日鉄ケミカル&マテリアル株式会社 2021-04-01 WO disclosed
CN-105295812-B Connecting material and solar cell module 昭和电工材料株式会社 2021-03-02 CN disclosed
US-20210047458-A1 EPOXY RESIN MODIFIED WITH POLYURETHANE IN LOW CONCENTRATION, PRODUCTION METHOD THEREFOR, EPOXY RESIN COMPOSITION, AND CURED OBJECT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2021-02-18 US disclosed
EP-3778691-A1 EPOXY RESIN MODIFIED WITH POLYURETHANE IN LOW CONCENTRATION, PRODUCTION METHOD THEREFOR, EPOXY RESIN COMPOSITION, AND CURED OBJECT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2021-02-17 EP disclosed
CN-107484415-A 1-cyanopyrrolidine compounds as USP30 inhibitors 特殊治疗有限公司 2017-12-15 CN disclosed
CN-105295812-A Connection material and solar cell module HITACHI CHEMICAL CO LTD 2016-02-03 CN disclosed