SCHEMBL8816568

SCHEMBL8816568

O=[N+]([O-])c1cccc(-c2nc3c(-c4ccccc4)cccc3[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ HTT P42858 2/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ GUSB P08236 1/20 0.57
▸ MMP13 P45452 2/20 0.56
▸ MMP2 P08253 2/20 0.56
▸ MMP9 P14780 2/20 0.56
▸ MMP8 P22894 2/20 0.56
▸ NPBWR1 P48145 4/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ POLB P06746 1/20 0.53
▸ HCRTR1 O43613 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50

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
SCHEMBL4457030 0.83 DHODH (0.53) SMN1; SMN2RAB9ANPC1ALDH1A1PARP1
SCHEMBL8816597 0.82 MGAM (0.50) MAPTNPBWR1CYP1A2CYP2D6ALDH1A1
SCHEMBL3336091 0.81 RAB9A (0.80) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL9259477 0.81 MAPT (0.54) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL230979 0.80 DHODH (0.53) RAB9ANPC1CYP1A2CYP2D6PARP1
SCHEMBL31027957 0.80 DHODH (0.59) RAB9ANPC1CYP1A2CYP2D6POLB
SCHEMBL30823383 0.79 PARP1 (0.78) PARP1PKN1PKN2
SCHEMBL7146754 0.79 DHODH (0.62) RAB9ANPC1CYP1A2CYP2D6POLB
SCHEMBL1170898 0.79 DHODH (0.54) SMN1; SMN2RAB9ANPC1CYP1A2CYP2D6
SCHEMBL2126513 0.77 MAPT (0.74) MAPTMEN1KMT2ASMN1; SMN2RAB9A

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
WO-1997033873-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1997-09-18 — — WO disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
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