SCHEMBL23656341

SCHEMBL23656341

NC1=CC(c2ccccc2)CC(c2ccccc2)=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.33
MAOB P27338 8/20 0.33
HSD17B10 Q99714 2/20 0.32
KDM1A O60341 6/20 0.32
MAOA P21397 6/20 0.31
CYP2C19 P33261 4/20 0.31
CYP2B6 P20813 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2A6 P11509 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL24737116 0.83 SLC6A3 (0.42) ALDH1A1MAOBHSD17B10KDM1AMAOA
SCHEMBL30098561 0.78 CFTR (0.38) CFTRGOPCALDH1A1LMNAMAOB
SCHEMBL21764057 0.77 SLC6A3 (0.42) ALDH1A1HSD17B10KDM1ACYP3A4HTR1A
SCHEMBL20860364 0.77 CYP11B2 (0.44) ALDH1A1CYP1A2CYP3A4CYP2A6NOS2
SCHEMBL24115883 0.77 CYP11B2 (0.44) ALDH1A1CYP1A2CYP3A4CYP2A6NOS2
SCHEMBL29405158 0.75 ALDH1A1 (0.43) CFTRGOPCALDH1A1LMNAMAOB
SCHEMBL22146969 0.72 ALDH1A1 (0.33) CFTRGOPCALDH1A1LMNAMAOB
SCHEMBL12521940 0.72 ALDH1A1 (0.41) CFTRGOPCALDH1A1LMNAKDM1A
SCHEMBL21764139 0.71 CFTR (0.35) CFTRGOPCALDH1A1LMNAMAOB
SCHEMBL18518129 0.71 SMN1; SMN2 (0.33) CFTRGOPCALDH1A1LMNAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3851443-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2023-09-13 EP disclosed
EP-3851443-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2021-07-21 EP disclosed