SCHEMBL21394586

SCHEMBL21394586

CN1N=C(C(=O)Nc2ccc(Cc3cc(Cl)cc(Cl)c3)cn2)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.39
F10 P00742 8/20 0.39
PARP1 P09874 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RIPK1 Q13546 1/20 0.36
CSF1R P07333 1/20 0.35

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
SCHEMBL21394829 0.93 RAB9A (0.43) RAB9ASMN1; SMN2F10ALDH1A1NPC1
SCHEMBL29353757 0.93 RAB9A (0.43) RAB9ASMN1; SMN2F10ALDH1A1NPC1
SCHEMBL29358624 0.93 RAB9A (0.47) RAB9ASMN1; SMN2F10PARP1ALDH1A1
SCHEMBL21394472 0.93 RAB9A (0.47) RAB9ASMN1; SMN2F10PARP1ALDH1A1
SCHEMBL21394756 0.92 RAB9A (0.42) RAB9ASMN1; SMN2F10ALDH1A1MAPT
SCHEMBL29354631 0.91 RAB9A (0.44) RAB9ASMN1; SMN2F10PARP1ALDH1A1
SCHEMBL21394597 0.91 RAB9A (0.44) RAB9ASMN1; SMN2F10PARP1ALDH1A1
SCHEMBL21394773 0.91 RAB9A (0.44) RAB9ASMN1; SMN2F10PARP1ALDH1A1
SCHEMBL21395110 0.91 RAB9A (0.41) RAB9ASMN1; SMN2F10RIPK1
SCHEMBL29356885 0.91 RAB9A (0.41) RAB9ASMN1; SMN2F10RIPK1

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