SCHEMBL8328333

SCHEMBL8328333

O=C(O)CNc1nc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.64
ALPG P10696 2/20 0.64
RAB9A P51151 5/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
TP53 P04637 2/20 0.62
PLAA Q9Y263 1/20 0.61
NPC1 O15118 4/20 0.59
PKM P14618 1/20 0.59
MAOB P27338 1/20 0.59
ADORA2A P29274 1/20 0.59
ALDH1A1 P00352 3/20 0.58
MAPK1 P28482 2/20 0.58
HSD17B10 Q99714 2/20 0.58
LMNA P02545 2/20 0.58
CYP3A4 P08684 1/20 0.58
BCHE P06276 2/20 0.55
TRPC3 Q13507 1/20 0.55
TRPC4 Q9UBN4 1/20 0.55
TRPC5 Q9UL62 1/20 0.55
ALOX12 P18054 1/20 0.55

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
SCHEMBL17329391 0.84 KDM4E (0.59) ALPLALPGRAB9ASMN1; SMN2TP53
SCHEMBL7217435 0.84 BCHE (0.60) ALPLALPGRAB9ASMN1; SMN2TP53
SCHEMBL5845732 0.83 BCHE (0.60) ALPLALPGRAB9ASMN1; SMN2TP53
SCHEMBL12948201 0.83 SMN1; SMN2 (0.59) ALPLALPGRAB9ASMN1; SMN2TP53
SCHEMBL6764617 0.82 BCHE (0.65) ALPLALPGRAB9ASMN1; SMN2TP53
SCHEMBL5846138 0.81 KCNH2 (0.60) ALPLALPGRAB9ASMN1; SMN2TP53
SCHEMBL5845974 0.80 BCHE (0.57) ALPLALPGRAB9ASMN1; SMN2TP53
SCHEMBL24549684 0.79 RAB9A (0.60) ALPLALPGRAB9ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL27647756 0.78 BCHE (0.69) RAB9ASMN1; SMN2TP53NPC1PKM
SCHEMBL204726 0.78 NPC1 (0.73) RAB9ASMN1; SMN2TP53NPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022129256-A1 SELECTIVE HDAC6 INHIBITOR ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2022-06-23 WO disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
EP-0195947-B1 Beta-lactam antibiotics, process for their preparation and their use as and in medicaments BAYER AG (DE) 1996-04-24 EP disclosed
CN-1017335-B PROCESS FOR PREPARING BETA-LACTAM ANTIBIOTICS BAYER AG (DE) 1992-07-08 CN disclosed
US-RE33948-E Bactericides, animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
US-4748163-A Novel β-lactam antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed
EP-0195947-A2 Beta-lactam antibiotics, process for their preparation and their use as and in medicaments BAYER AG (DE) 1986-10-01 EP disclosed