SCHEMBL8326372

SCHEMBL8326372

CCOc1cc2c(Cl)c(C(=O)O)cnc2nc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 3/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
NEK2 P51955 1/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MITF O75030 1/20 0.35
GABRP O00591 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
SCHEMBL8326185 0.89 SLC2A1 (0.40) TSHRMEN1KMT2ADPP4LMNA
SCHEMBL8327645 0.89 KMT2A (0.51) TSHRKDM4EALDH1A1HPGDMEN1
SCHEMBL8324245 0.87 TSHR (0.42) TSHRHSD17B10KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8563128 0.81 KDM4E (0.37) TSHRKDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8327213 0.81 DPP4 (0.49) TSHRKDM4EALDH1A1HPGDMEN1
SCHEMBL8565920 0.80 DPP4 (0.52) KDM4EALDH1A1MEN1KMT2ADPP4
SCHEMBL8563530 0.79 ALDH1A1 (0.35) TSHRHSD17B10KDM4EALDH1A1CYP1A2
SCHEMBL8322260 0.78 DPP4 (0.48) TSHRKDM4EDPP4NPC1RAB9A
SCHEMBL8328855 0.78 DPP4 (0.40) TSHRDPP4LMNAHTT
SCHEMBL8562829 0.77 ALDH1A1 (0.38) TSHRHSD17B10ALDH1A1HPGDDPP4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP disclosed
US-5780482-A TREATING RHEUMATIC DISEASES KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705260-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1996-04-10 EP disclosed
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed