SCHEMBL18055752

SCHEMBL18055752

Cc1ccc2c(c1)c1cc(C#N)ccc1n2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CYP2A6 P11509 1/20 0.47
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1I2 O75469 1/20 0.41
AHR P35869 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
APAF1 O14727 1/20 0.40
PKM P14618 1/20 0.40
IDO1 P14902 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL18055739 0.92 BCHE (0.44) ALDH1A1CYP2A6BCHEACHEEGFR
SCHEMBL18055762 0.92 ALDH1A1 (0.42) ALDH1A1CYP2A6BCHEACHEEGFR
SCHEMBL29858321 0.91 EGFR (0.46) ALDH1A1CYP2A6EGFRSRCMEN1
SCHEMBL6363289 0.91 EGFR (0.46) ALDH1A1CYP2A6EGFRSRCMEN1
SCHEMBL21899536 0.84 ALDH1A1 (0.45) ALDH1A1CYP2A6EGFRSRCIDO1
SCHEMBL18055758 0.84 BCHE (0.42) ALDH1A1BCHEACHEEGFRSRC
SCHEMBL11807938 0.84 EGFR (0.42) ALDH1A1BCHEACHEEGFRSRC
SCHEMBL793546 0.82 BCHE (0.56) ALDH1A1BCHEACHEMEN1KMT2A
SCHEMBL9103614 0.82 GPR3 (0.57) ALDH1A1EGFRSRCMEN1KMT2A
SCHEMBL13059950 0.82 BCHE (0.44) ALDH1A1BCHEACHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3490023-B1 COMPOSITION, THIN FILM INCLUDING THE COMPOSITION, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE THIN FILM SAMSUNG ELECTRONICS CO LTD (KR) 2020-04-22 EP disclosed
EP-3061759-B1 NITRILE SUBSTITUTED DIBENZOFURANS IDEMITSU KOSAN CO (JP) 2019-12-25 EP disclosed
EP-3174885-B1 2,9-FUNCTIONALIZED BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLES AS HOSTS FOR ORGANIC LIGHT EMITTING DIODES (OLEDS) IDEMITSU KOSAN CO (JP) 2019-10-02 EP disclosed
EP-3490023-A1 COMPOSITION, THIN FILM INCLUDING THE COMPOSITION, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE THIN FILM Samsung Electronics Co., Ltd. (KR) 2019-05-29 EP disclosed
EP-3119770-B1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES IDEMITSU KOSAN CO (JP) 2018-05-02 EP disclosed
EP-3053918-B1 2-carbazole substituted benzimidazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed
WO-2017178864-A1 SEVEN-MEMBERED RING COMPOUNDS IDEMITSU KOSAN CO., LTD. (JP) 2017-10-19 WO disclosed
EP-3054498-B1 BISIMIDAZODIAZOCINES IDEMITSU KOSAN CO (JP) 2017-09-20 EP disclosed
EP-3061759-A1 NITRILE SUBSTITUTED DIBENZOFURANS Idemitsu Kosan Co., Ltd (JP) 2016-08-31 EP disclosed