SCHEMBL9823205

SCHEMBL9823205

Cc1cc2ncc(C3(C)NC(=O)NC3=O)nc2cc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.38
PDGFRB P09619 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NQO2 P16083 1/20 0.34
PDGFRA P16234 1/20 0.34
PTGER3 P43115 1/20 0.33
TNKS O95271 1/20 0.33
TSHR P16473 1/20 0.31
BACE1 P56817 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9823220 0.84 LMNA (0.44) ALDH1A1LMNAPDGFRBSMN1; SMN2MEN1
SCHEMBL9823347 0.68 PTGER3 (0.36) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL12878198 0.66 MEN1 (0.39) LMNAMEN1KMT2ATSHRKDM4E
SCHEMBL6386860 0.65 ALDH1A1 (0.56) ALDH1A1PDGFRBNPC1RAB9AKDR
SCHEMBL9823023 0.65 ALDH1A1 (0.50) ALDH1A1PDGFRBNPC1RAB9AKDR
SCHEMBL9823335 0.65 LMNA (0.55) ALDH1A1LMNAMEN1KMT2ANQO2
SCHEMBL972751 0.64 MEN1 (0.40) LMNAMEN1KMT2A
SCHEMBL13388975 0.63 NQO2 (0.72) ALDH1A1LMNAPDGFRBNPC1RAB9A
SCHEMBL102894 0.63 AKR1B1 (0.36) LMNAMEN1KMT2AMAPT
SCHEMBL542678 0.62 LMNA (0.52) ALDH1A1LMNANPC1RAB9AMEN1

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
EP-0288898-B1 SUBSTITUTED CHINOXALYL-IMIDAZOLIDINE-2,4-DIONES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND PHARMACOLOGICAL PREPARATIONS HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-14 EP disclosed
US-4943576-A ENZYME INHIBITORS HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed