SCHEMBL21395080

SCHEMBL21395080

Cn1cc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
CSF1R P07333 1/20 0.46
EP300 Q09472 3/20 0.46
FSCN1 Q16658 1/20 0.44
DHX9 Q08211 1/20 0.44
GSK3B P49841 5/20 0.44
DYRK1A Q13627 5/20 0.44
WNT1 P04628 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CLK2 P49760 1/20 0.43

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
SCHEMBL21394981 0.90 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1CSF1REP300DHX9
SCHEMBL21394827 0.88 ALDH1A1 (0.50) ALDH1A1CSF1REP300FSCN1DHX9
SCHEMBL29442864 0.88 ALDH1A1 (0.50) ALDH1A1CSF1REP300FSCN1DHX9
SCHEMBL21394681 0.86 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL29356936 0.84 NPC1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL21394601 0.84 NPC1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL21394615 0.83 NPC1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL21394763 0.83 NPC1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL29355382 0.83 NPC1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL21394646 0.82 RAB9A (0.44) SMN1; SMN2NPC1RAB9AALDH1A1PKM

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