SCHEMBL16707482

SCHEMBL16707482

Cc1cccc(C)c1SC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
AR P10275 1/20 0.38
TRPA1 O75762 2/20 0.37
ATM Q13315 1/20 0.37
ACHE P22303 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
SCN4A P35499 4/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL27715605 0.87 ALDH1A1 (0.44) SMN1; SMN2LMNAGAACYP1A2CYP2A6
SCHEMBL900169 0.87 ACHE (0.44) SMN1; SMN2LMNAGAACYP1A2CYP2A6
SCHEMBL16707480 0.78 KDM4E (0.33) SMN1; SMN2TRPA1ATMALDH1A1KDM4E
SCHEMBL3231058 0.77 CYP2A6 (0.39) SMN1; SMN2CYP1A2CYP2A6ARTRPA1
SCHEMBL21614301 0.76 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1KDM4ETDP1
Fluoride SCHEMBL1334652 0.75 CYP2A6 (0.38) SMN1; SMN2CYP1A2CYP2A6ARTRPA1
SCHEMBL16707513 0.75 HTR2A (0.39) SMN1; SMN2LMNAGAAARALDH1A1
SCHEMBL16707483 0.75 TRPA1 (0.43) SMN1; SMN2LMNAGAACYP1A2CYP2A6
SCHEMBL476656 0.73 ACHE (0.41) SMN1; SMN2LMNAGAAARACHE
SCHEMBL16707484 0.73 SMN1; SMN2 (0.41) SMN1; SMN2LMNAGAAARALDH1A1

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
US-9647218-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-05-09 US disclosed
US-20150129849-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-05-14 US disclosed