SCHEMBL9800935

SCHEMBL9800935

NC(=O)N1CCc2cccc([N+](=O)[O-])c21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 6/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GPR35 Q9HC97 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL27796854 0.87 HPGD (0.47) HPGDRAB9ANPC1NOTUMALDH1A1
SCHEMBL6691919 0.85 NOTUM (0.60) HPGDRAB9ANPC1NOTUMALDH1A1
SCHEMBL13002995 0.85 HPGD (0.46) HPGDRAB9ANPC1NOTUMALDH1A1
SCHEMBL20897098 0.85 RAB9A (0.47) HPGDRAB9ANPC1NOTUMALDH1A1
SCHEMBL25014859 0.82 MEN1 (0.54) HPGDRAB9ANPC1NOTUMALDH1A1
SCHEMBL13309261 0.82 HTR2A (0.45) HPGDRAB9ANPC1NOTUMALDH1A1
SCHEMBL13309263 0.82 RAB9A (0.45) HPGDRAB9ANPC1NOTUMALDH1A1
SCHEMBL12919995 0.82 ALDH1A1 (0.54) HPGDRAB9ANPC1NOTUMALDH1A1
SCHEMBL19193156 0.79 ALDH1A1 (0.43) HPGDRAB9ANPC1NOTUMALDH1A1
SCHEMBL9800936 0.78 LMNA (0.47) HPGDRAB9AALDH1A1LMNAMEN1

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-0185762-B1 CELL-DELIVERY AGENT DANA-FARBER CANCER INSTITUTE, INC. (US) 1991-03-13 EP disclosed
EP-0185762-A4 CELL-DELIVERY AGENT. DANA FARBER CANCER INST INC (US) 1986-12-01 EP disclosed
US-4625014-A Cell-delivery agent DANA-FARBER CANCER INSTITUTE, INC. (US) 1986-11-25 US disclosed
EP-0185762-A1 CELL-DELIVERY AGENT. DANA FARBER CANCER INST INC (US) 1986-07-02 EP disclosed
WO-1986000527-A1 CELL-DELIVERY AGENT DANA-FARBER CANCER INSTITUTE, INC. (US) 1986-01-30 WO disclosed