SCHEMBL21394942

SCHEMBL21394942

CCn1cc(C(=O)Nc2ccc(Cc3cccc(F)c3)nn2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.46
BRD4 O60885 3/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 2/20 0.42
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
PDE10A Q9Y233 1/20 0.40
ALDH1A1 P00352 1/20 0.40
P2RY14 Q15391 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL21394486 0.89 ALDH1A1 (0.53) TP53BRD4MAPTLMNABRD2
SCHEMBL29356259 0.89 ALDH1A1 (0.53) TP53BRD4MAPTLMNABRD2
SCHEMBL21394445 0.88 CREBBP (0.45) TP53BRD4SMN1; SMN2P2RY14NPC1
SCHEMBL29357564 0.88 CREBBP (0.45) TP53BRD4SMN1; SMN2P2RY14NPC1
SCHEMBL21395138 0.88 MAPT (0.47) TP53BRD4MAPTLMNABRD2
SCHEMBL29358552 0.85 TP53 (0.46) TP53BRD4MAPTLMNABRD2
SCHEMBL21384386 0.85 TP53 (0.46) TP53BRD4MAPTLMNABRD2
SCHEMBL29356949 0.81 ABCC8 (0.46) BRD4LMNASMN1; SMN2ALDH1A1P2RY14
SCHEMBL21384455 0.81 ABCC8 (0.46) BRD4LMNASMN1; SMN2ALDH1A1P2RY14
SCHEMBL21394582 0.78 TSHR (0.47) BRD4MAPTLMNASMN1; SMN2ALDH1A1

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