SCHEMBL21394700

SCHEMBL21394700

CC(O)c1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.43
PYGL P06737 1/20 0.42
HIF1A Q16665 1/20 0.41
SNCA P37840 1/20 0.41
PTGER4 P35408 3/20 0.41
PTGER2 P43116 2/20 0.41
F10 P00742 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
DEGS1 O15121 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ABL1 P00519 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 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
SCHEMBL21394703 0.87 ALDH1A1 (0.43) ALDH1A1MAPTLMNAHIF1ASNCA
SCHEMBL21394699 0.86 FFAR2 (0.42) ALDH1A1PYGLF10DEGS1NPC1
SCHEMBL29358525 0.85 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHIF1ASNCA
SCHEMBL21394767 0.85 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHIF1ASNCA
SCHEMBL21394728 0.84 ALDH1A1 (0.49) ALDH1A1LMNAF10MEN1KMT2A
SCHEMBL21394657 0.83 ALDH1A1 (0.49) ALDH1A1MAPTF10MEN1KMT2A
SCHEMBL21394651 0.83 ALDH1A1 (0.49) ALDH1A1MAPTF10MEN1KMT2A
SCHEMBL21395090 0.83 ALDH1A1 (0.51) ALDH1A1LMNAF10MEN1KMT2A
SCHEMBL21394644 0.83 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHIF1ASNCA
SCHEMBL22479547 0.82 ALDH1A1 (0.50) ALDH1A1LMNAF10MEN1KMT2A

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