SCHEMBL22479552

SCHEMBL22479552

Cn1cc(C(=O)Nc2ccc(Nc3cccc(F)c3)cn2)ccc1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
CREBBP Q92793 1/20 0.51
RAB9A P51151 9/20 0.49
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 9/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NAMPT P43490 1/20 0.43
TP53 P04637 1/20 0.43
PIK3CA P42336 1/20 0.42

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
SCHEMBL22479687 0.88 CREBBP (0.51) MEN1KMT2ACREBBPRAB9AALDH1A1
SCHEMBL21394512 0.82 TSHR (0.53) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL21394479 0.81 RAB9A (0.46) MEN1KMT2APOLBCREBBPRAB9A
SCHEMBL29356936 0.81 NPC1 (0.46) MEN1KMT2APOLBCREBBPRAB9A
SCHEMBL21394601 0.81 NPC1 (0.46) MEN1KMT2APOLBCREBBPRAB9A
SCHEMBL21394862 0.81 GCK (0.52) MEN1KMT2APOLBCREBBPRAB9A
SCHEMBL29357283 0.81 GCK (0.52) MEN1KMT2APOLBCREBBPRAB9A
SCHEMBL21394550 0.77 KDM4E (0.51) CREBBPRAB9AALDH1A1NPC1KDM4E
SCHEMBL29353782 0.77 KDM4E (0.51) CREBBPRAB9AALDH1A1NPC1KDM4E
SCHEMBL21394736 0.76 NTRK1 (0.44) MEN1KMT2APOLBCREBBPRAB9A

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 1 patent. 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