SCHEMBL20172397

SCHEMBL20172397

Nc1cccc2c1sc1cnccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
NCOA1 Q15788 1/20 0.40
RCE1 Q9Y256 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38

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
SCHEMBL17489630 0.86 CYP3A4 (0.44) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL16283924 0.79 CYP1A2 (0.38) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL29079465 0.79 AXL (0.36) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL20172398 0.79 KDM4E (0.34) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL30581206 0.79 AXL (0.36) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL24056338 0.79 ADRA2A (0.36) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL29378897 0.77 GPR3 (0.54) CYP3A4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5713481 0.77 GPR3 (0.54) CYP3A4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16282358 0.77 CCR4 (0.37) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL20172269 0.76 CYP3A4 (0.49) CYP3A4LMNACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339395-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-02 EP disclosed
EP-3339395-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2018-06-27 EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 EP disclosed