SCHEMBL1646441

SCHEMBL1646441

CCc1cccc(-c2ccccc2N)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
PIK3CA P42336 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 3/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
RECQL P46063 1/20 0.38
PTPRC P08575 1/20 0.37
ADORA2A P29274 1/20 0.37
DHFR P00374 1/20 0.37
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL11550868 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1CYP3A4TSHRCYP2D6
SCHEMBL27471913 0.82 ALDH1A1 (0.56) ALDH1A1L3MBTL1CYP3A4TSHRCYP2D6
SCHEMBL7406902 0.81 CYP3A4 (0.59) ALDH1A1CYP3A4TSHRPIK3CAHSD17B10
SCHEMBL22434026 0.81 ALDH1A1 (0.68) ALDH1A1L3MBTL1CYP3A4TSHRPIK3CA
SCHEMBL1647071 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRCYP2D6HSD17B10
Hydrochloric Acid SCHEMBL14994099 0.79 CYP3A4 (0.56) ALDH1A1CYP3A4TSHRPIK3CAHSD17B10
SCHEMBL3781456 0.79 ALDH1A1 (0.65) ALDH1A1L3MBTL1CYP3A4TSHRPIK3CA
SCHEMBL18311506 0.77 PDCD1 (0.47) ALDH1A1L3MBTL1TSHRPDCD1CD274
SCHEMBL20330379 0.77 CYP3A4 (0.43) ALDH1A1CYP3A4TSHRPIK3CAPDCD1
SCHEMBL29565534 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2639286-B1 Process for the production of fuel and fuel additives capable for use for internal combustion engines and the fuels and fuel additives obtained MOL MAGYAR OLAJ ES GAZIPARI NYRT (HU) 2023-01-18 EP claimed
EP-2639286-A2 Process for the production of fuel and fuel additives capable for use for internal combustion engines and the fuels and fuel additives obtained MOL Magyar Olaj- és Gázipari Nyrt. (HU) 2013-09-18 EP claimed
EP-2305778-A2 Fuel and fuel additives capable for use for internal combustion engines and process for the production thereof MOL Magyar Olaj- és Gázipari Nyrt. (HU) 2011-04-06 EP claimed
EP-2639286-B1 Process for the production of fuel and fuel additives capable for use for internal combustion engines and the fuels and fuel additives obtained MOL MAGYAR OLAJ ES GAZIPARI NYRT (HU) 2023-01-18 EP disclosed
EP-2305778-B1 Fuel and fuel additives capable for use for internal combustion engines and process for the production thereof MOL MAGYAR OLAJ- ÉS GÁZIPARI NYRT (HU) 2016-12-07 EP disclosed
EP-2639286-A2 Process for the production of fuel and fuel additives capable for use for internal combustion engines and the fuels and fuel additives obtained MOL Magyar Olaj- és Gázipari Nyrt. (HU) 2013-09-18 EP disclosed
EP-2305778-A2 Fuel and fuel additives capable for use for internal combustion engines and process for the production thereof MOL Magyar Olaj- és Gázipari Nyrt. (HU) 2011-04-06 EP disclosed