SCHEMBL7189566

SCHEMBL7189566

NB(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ORAI1 Q96D31 3/20 0.47
▸ ORAI2 Q96SN7 3/20 0.47
▸ ORAI3 Q9BRQ5 3/20 0.47
▸ TRPV6 Q9H1D0 3/20 0.47
▸ CA4 P22748 3/20 0.47
▸ CA6 P23280 2/20 0.47
▸ CA5A P35218 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ CA5B Q9Y2D0 2/20 0.47
▸ ENPP2 Q13822 1/20 0.47
▸ PCSK9 Q8NBP7 1/20 0.47
▸ TSHR P16473 2/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
Hydrochloric Acid SCHEMBL11184742 0.97 ORAI1 (0.45) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL15514665 0.79 — —
SCHEMBL8661807 0.73 — —
SCHEMBL125450 0.69 TRPV6 (0.53) ORAI1ORAI2ORAI3TRPV6CA4
Methylamine SCHEMBL9777145 0.69 ORAI1 (0.45) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL4195534 0.67 TRPV6 (0.43) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL17036053 0.67 TRPV6 (0.50) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL500600 0.67 TRPV6 (0.50) ORAI1ORAI2ORAI3TRPV6CA4
Ammonia Solution, Strong SCHEMBL475909 0.67 TRPV6 (0.50) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL7644960 0.67 TRPV6 (0.50) ORAI1ORAI2ORAI3TRPV6CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3067361-B1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-11-20 — — EP disclosed
EP-3211681-A1 ORGANIC LIGHT-EMITTING APPARATUS Samsung Electronics Co., Ltd. (KR) 2017-08-30 — — EP disclosed
EP-3000815-B1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2017-07-19 — — EP disclosed
EP-3130595-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSIS COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2017-02-15 — — EP disclosed
EP-1003753-B1 COMPOUNDS CONTAINING BORON AND ALUMINIUM BASELL POLYOLEFINE GMBH (DE) 2003-03-05 — — EP disclosed
US-6417302-B1 REACTION PRODUCT OF DI(PENTAFLUOROPHENYL) BORINIC ACID AND ORGANOALUMINUM COMPOUND; OLEFIN POLYMERIZATION COORDINATION CATALYSTS BASELL POLYOLEFINE GMBH (DE) 2002-07-09 — — US disclosed
EP-1003753-A1 COMPOUNDS CONTAINING BORON AND ALUMINIUM Basell Polyolefine GmbH (DE) 2000-05-31 — — EP disclosed
WO-1999006414-A1 COMPOUNDS CONTAINING BORON AND ALUMINIUM TARGOR GMBH (DE) 1999-02-11 — — WO disclosed
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