SCHEMBL3280863

SCHEMBL3280863

NC(=O)c1ccc(C#Cc2c(F)c(F)nc(F)c2F)c(C#Cc2c(F)c(F)nc(F)c2F)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.37
▸ LCK P06239 1/20 0.36
▸ CHEK2 O96017 4/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ APP P05067 2/20 0.33
▸ F10 P00742 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ HPGDS O60760 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL3277024 0.80 GRM5 (0.41) PARP1GRM5JAK2TSHRKMT2A
Hydrochloric Acid SCHEMBL14230990 0.79 GRM5 (0.40) PARP1GRM5JAK2TSHRKMT2A
SCHEMBL13717134 0.65 KDM4E (0.48) GRM5KMT2A
SCHEMBL2973768 0.63 PARP15 (0.46) PARP1LCKCYP11B2TSHRKMT2A
SCHEMBL13717468 0.63 ALDH1A1 (0.41) TSHR
SCHEMBL15464961 0.63 CYP11B2 (0.60) PARP1CYP11B2
SCHEMBL3085415 0.63 CYP11B2 (0.49) PARP1LCKCYP11B2JAK2
SCHEMBL2363489 0.61 LCK (0.78) PARP1LCKTSHRKMT2A
SCHEMBL3277025 0.60 APP (0.54) GRM5APPKMT2A
SCHEMBL29781365 0.60 CES2 (0.67) PARP1LCKTSHRKMT2A

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-8242307-B1 Site-specific cleavage of nucleic acids by photoreactive conjugates FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2012-08-14 — — US disclosed
US-7695912-B1 Site-specific cleavage of nucleic acids by photoreactive conjugates FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-04-13 — — US disclosed
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