SCHEMBL22780686

SCHEMBL22780686

Cc1cc(C#N)c(S)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALOX15 P16050 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
CYP2A6 P11509 1/20 0.35
AR P10275 6/20 0.33
RECQL P46063 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL23472773 0.84 ALDH1A1 (0.39) TRPV4TSHRALDH1A1TDP1POLB
SCHEMBL11948728 0.78 TSHR (0.40) TSHRALDH1A1TDP1POLBKMT2A
SCHEMBL27558711 0.77 TRPV4 (0.38) TRPV4TSHRALDH1A1TDP1POLB
SCHEMBL6513538 0.76 TRPV4 (0.39) TRPV4TSHRALDH1A1KMT2ACYP2A6
SCHEMBL11445453 0.76 TSHR (0.39) TSHRALDH1A1TDP1POLBKMT2A
SCHEMBL16122480 0.74 DHODH (0.39) TRPV4TSHRALDH1A1TDP1POLB
SCHEMBL9475769 0.74 XDH (0.41) TSHRALDH1A1TDP1POLBKMT2A
SCHEMBL29216775 0.74 SELL (0.43) TSHRALDH1A1TDP1POLBKMT2A
SCHEMBL6513668 0.74 TRPV4 (0.38) TRPV4TSHRKMT2A
SCHEMBL6514504 0.74 TRPV4 (0.38) TRPV4TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4395521-A1 CONDENSED CYCLIC COMPOUND, LIGHT-EMITTING DEVICE COMPRISING THE CONDENSED CYCLIC COMPOUND, AND ELECTRONIC APPARATUS COMPRISING THE LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2024-07-03 EP disclosed
EP-3750900-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-12-16 EP disclosed
EP-3750899-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-12-16 EP disclosed
EP-3750898-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-12-16 EP disclosed