SCHEMBL9800936

SCHEMBL9800936

NN1CCc2cccc([N+](=O)[O-])c21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 1/20 0.41
ACHE P22303 1/20 0.41
GPR35 Q9HC97 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6651163 0.80 LMNA (0.43) LMNAHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL27982520 0.80 LMNA (0.43) LMNAHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL28208186 0.80 ALDH1A1 (0.46) LMNAHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL16284295 0.80 HTR2A (0.44) LMNAHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL9800935 0.78 HPGD (0.46) LMNAHPGDALDH1A1CYP3A4ALOX15
SCHEMBL26778543 0.78 ALDH1A1 (0.51) LMNAHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL24351653 0.76 HPGD (0.44) LMNAHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL27796854 0.76 HPGD (0.47) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL27920185 0.76 ALDH1A1 (0.43) LMNAHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL30871992 0.76 CYP1A2 (0.54) LMNAALDH1A1CYP1A2CYP2C9CYP2C19

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