SCHEMBL19802452

SCHEMBL19802452

Clc1cccc2oc3c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
AHR P35869 5/20 0.49
PRKDC P78527 1/20 0.40
GGPS1 O95749 1/20 0.38
PIM1 P11309 2/20 0.36
CSNK2A2 P19784 2/20 0.36
CSNK2B P67870 2/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 2/20 0.35
TTR P02766 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL19802980 0.92 ALOX5 (0.44) ALOX5AHRPRKDCGGPS1PIM1
SCHEMBL24602154 0.85 AHR (0.49) ALOX5AHRPRKDCGGPS1PIM1
SCHEMBL20982345 0.85 AHR (0.41) ALOX5AHRPIM1CSNK2A2CSNK2B
SCHEMBL24601894 0.85 AHR (0.47) ALOX5AHRPRKDCGGPS1PIM1
SCHEMBL19803032 0.85 AHR (0.47) ALOX5AHRPRKDCGGPS1PIM1
SCHEMBL20962219 0.84 AHR (0.50) ALOX5AHRPRKDCGGPS1PIM1
SCHEMBL31120342 0.84 AHR (0.50) ALOX5AHRPRKDCGGPS1PIM1
SCHEMBL20982344 0.84 ALOX5 (0.38) ALOX5AHRPRKDCGGPS1
SCHEMBL14924577 0.83 ALOX5 (0.69) ALOX5AHRPRKDCGGPS1MEN1
SCHEMBL12175683 0.83 ALOX5 (0.69) ALOX5AHRPRKDCGGPS1MEN1

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
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
WO-2021180625-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2021-09-16 WO disclosed
EP-3480194-B1 HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES USING SAME LG CHEMICAL LTD (KR) 2021-09-08 EP disclosed
WO-2021037401-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-03-04 WO disclosed
EP-3480194-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LG Chem, Ltd. (KR) 2019-05-08 EP disclosed
WO-2018016742-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2018-01-25 WO disclosed