SCHEMBL21394736

SCHEMBL21394736

Cn1cc(C(=O)Nc2ccc(Cc3cc(F)ccc3F)cn2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.41
GCK P35557 2/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CREBBP Q92793 1/20 0.40
DEGS1 O15121 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
F10 P00742 2/20 0.39

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
SCHEMBL21395000 0.92 KDM4E (0.43) NTRK1KDM4EMAPTTP53GCK
SCHEMBL29929642 0.88 GCK (0.48) KDM4EMAPTTP53GCKRARA
SCHEMBL21394990 0.88 DEGS1 (0.41) NTRK1GCKRARARARBRARG
SCHEMBL21394550 0.88 KDM4E (0.51) NTRK1KDM4EMAPTGCKALDH1A1
SCHEMBL29353782 0.88 KDM4E (0.51) NTRK1KDM4EMAPTGCKALDH1A1
SCHEMBL29357606 0.87 MAPT (0.44) NTRK1KDM4EMAPTTP53GCK
SCHEMBL21394480 0.87 MAPT (0.44) NTRK1KDM4EMAPTTP53GCK
SCHEMBL21395123 0.86 P2RX3 (0.43) NTRK1KDM4ETP53ALDH1A1RAB9A
SCHEMBL21394784 0.86 GCK (0.44) NTRK1KDM4EMAPTGCKRARG
SCHEMBL29356925 0.86 GCK (0.44) NTRK1KDM4EMAPTGCKRARG

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