SCHEMBL20748738

SCHEMBL20748738

C/C=C\C(=C/CC)c1ccnc(S)c1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.30
POLB P06746 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL6838562 0.80 HTT (0.36) CYP1A2CYP1A1CYP2D6CYP1B1
SCHEMBL6838561 0.80 HTT (0.36) CYP1A2CYP1A1CYP2D6CYP1B1
SCHEMBL20748682 0.79
SCHEMBL20748672 0.73
SCHEMBL21160822 0.71 HTT (0.48) POLB
SCHEMBL23676652 0.71
SCHEMBL22600767 0.70 ATM (0.41) CYP1A2CYP2D6
SCHEMBL26343145 0.69 MEN1 (0.36) POLBCYP2D6
SCHEMBL21160404 0.68 CTNNB1 (0.45)
SCHEMBL15826777 0.66 ACHE (0.32)

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-3428149-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2021-07-28 EP disclosed
EP-3444860-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-02-20 EP disclosed