SCHEMBL21395151

SCHEMBL21395151

Cn1cc(C(=O)Nc2ccc(Cc3cc(F)c(F)c(C#N)c3)cn2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.40
GCK P35557 6/20 0.38
CREBBP Q92793 1/20 0.37
DEGS1 O15121 2/20 0.37
RARA P10276 2/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
BACE1 P56817 1/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC1 Q13547 1/20 0.36
F10 P00742 1/20 0.36
NTRK1 P04629 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
FSCN1 Q16658 1/20 0.36
PARP1 P09874 1/20 0.35

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
SCHEMBL21395018 0.92 FSCN1 (0.41) EP300GCKCREBBPDEGS1RARA
SCHEMBL21384385 0.92 CREBBP (0.42) GCKCREBBPDEGS1RARARARB
SCHEMBL29358634 0.92 CREBBP (0.42) GCKCREBBPDEGS1RARARARB
SCHEMBL21395001 0.87 RAB9A (0.41) CREBBPDEGS1F10NTRK1KDM4E
SCHEMBL21394652 0.86 F10 (0.40) CREBBPDEGS1F10RXFP1
SCHEMBL21394480 0.86 MAPT (0.44) GCKCREBBPDEGS1RARARARB
SCHEMBL29357606 0.86 MAPT (0.44) GCKCREBBPDEGS1RARARARB
SCHEMBL21395054 0.85 GCK (0.41) GCKDEGS1RARGKDM4E
SCHEMBL29358537 0.85 GCK (0.41) GCKDEGS1RARGKDM4E
SCHEMBL21394784 0.85 GCK (0.44) GCKCREBBPDEGS1RARGF10

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
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed