SCHEMBL21394716

SCHEMBL21394716

C=C(c1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)cn1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.45
ALDH1A1 P00352 2/20 0.43
F10 P00742 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SNCA P37840 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CXCR2 P25025 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
SCHEMBL21395090 0.86 ALDH1A1 (0.51) P4HTMALDH1A1F10SMN1; SMN2TSHR
SCHEMBL22479547 0.85 ALDH1A1 (0.50) P4HTMALDH1A1F10SMN1; SMN2KMT2A
SCHEMBL21394728 0.83 ALDH1A1 (0.49) P4HTMALDH1A1F10KMT2AMEN1
Trifluoroacetic Acid SCHEMBL29442844 0.81 F10 (0.47) P4HTMALDH1A1F10SMN1; SMN2NPC1
Trifluoroacetic Acid SCHEMBL28523947 0.81 F10 (0.47) P4HTMALDH1A1F10SMN1; SMN2NPC1
SCHEMBL21384159 0.81 ALDH1A1 (0.47) P4HTMALDH1A1F10SMN1; SMN2NPC1
SCHEMBL29358525 0.81 ALDH1A1 (0.47) P4HTMALDH1A1F10SMN1; SMN2NPC1
SCHEMBL21394767 0.81 ALDH1A1 (0.47) P4HTMALDH1A1F10SMN1; SMN2NPC1
SCHEMBL21395066 0.81 ALDH1A1 (0.47) P4HTMALDH1A1F10SMN1; SMN2NPC1
SCHEMBL21394466 0.80 ALDH1A1 (0.48) P4HTMALDH1A1F10SMN1; SMN2NPC1

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