SCHEMBL9528093

SCHEMBL9528093

O=C1NC(=O)C2C3C=CC(CCC3)C12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
ALDH1A1 P00352 9/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
BRCA1 P38398 1/20 0.31
CASP7 P55210 1/20 0.31
HBB P68871 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
APEX1 P27695 1/20 0.30
RECQL P46063 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9526575 0.95 POLB (0.34) POLBALDH1A1NPC1RAB9ATDP1
SCHEMBL4488756 0.90 POLB (0.41) POLBALDH1A1NPC1RAB9ATDP1
Noreximide SCHEMBL17875126 0.80 ALDH1A1 (0.48) POLBALDH1A1RAB9ATDP1TSHR
Noreximide SCHEMBL17369118 0.80 ALDH1A1 (0.48) POLBALDH1A1RAB9ATDP1TSHR
Noreximide SCHEMBL572054 0.80 ALDH1A1 (0.48) POLBALDH1A1RAB9ATDP1TSHR
Noreximide SCHEMBL24120970 0.80 ALDH1A1 (0.48) POLBALDH1A1RAB9ATDP1TSHR
Noreximide SCHEMBL14536593 0.80 ALDH1A1 (0.48) POLBALDH1A1RAB9ATDP1TSHR
Noreximide SCHEMBL339739 0.80 ALDH1A1 (0.48) POLBALDH1A1RAB9ATDP1TSHR
Noreximide SCHEMBL9073180 0.80 ALDH1A1 (0.48) POLBALDH1A1RAB9ATDP1TSHR
Noreximide SCHEMBL1105956 0.80 ALDH1A1 (0.48) POLBALDH1A1RAB9ATDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220873-B1 Fused bicyclic imides with psychotropic activity AMERICAN HOME PROD (US) 1993-11-24 EP disclosed
US-4892943-A ANTIPSYCHOTIC, ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-09 US disclosed
US-4883875-A Antipsychotic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1989-11-28 US disclosed
US-4851533-A 1,4-diazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1989-07-25 US disclosed
EP-0220873-A1 Fused bicyclic imides with psychotropic activity AMERICAN HOME PRODUCTS CORPORATION (US) 1987-05-06 EP disclosed