SCHEMBL21394636

SCHEMBL21394636

Cn1cc(C(=O)Nc2ccc(Cc3cncc(Cl)c3)cn2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.43
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CREBBP Q92793 1/20 0.40
KLKB1 P03952 4/20 0.40
NPC1 O15118 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 1/20 0.40
DEGS1 O15121 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
SCHEMBL21394506 0.90 RAB9A (0.49) F10RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL21395178 0.89 CYP11B1 (0.51) F10RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL21394825 0.88 ALDH1A1 (0.48) F10RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL29356860 0.88 ALDH1A1 (0.48) F10RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL21394976 0.88 KDM4E (0.41) F10CREBBPCYP1A2MAPTDEGS1
SCHEMBL21394761 0.85 MAOB (0.42) F10RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL29357123 0.85 MAOB (0.42) F10RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL21394762 0.85 RAB9A (0.43) F10RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL21394648 0.84 SIRT2 (0.43) F10RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL21394480 0.84 MAPT (0.44) F10RAB9ASMN1; SMN2TP53NFKB1

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