SCHEMBL29605784

SCHEMBL29605784

COC(=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ CYP4F2 P78329 1/20 0.49
▸ CYP4A11 Q02928 1/20 0.49
▸ ADAMTS4 O75173 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ FGFR3 P22607 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL3358287 0.81 CYP4F2 (0.59) ALDH1A1CYP4F2CYP4A11NPC1RAB9A
SCHEMBL7785924 0.79 ALDH1A1 (0.67) ALDH1A1TDP1ADAMTS4NPC1RAB9A
SCHEMBL1408350 0.78 KMT2A (0.59) ALDH1A1TDP1NPC1RAB9AHPGD
SCHEMBL5204961 0.78 L3MBTL1 (0.51) ALDH1A1TDP1NPC1RAB9AHPGD
SCHEMBL5651714 0.78 ALDH1A1 (0.57) ALDH1A1TDP1ADAMTS4MAPTMEN1
SCHEMBL27549013 0.78 CYP4F2 (0.56) ALDH1A1CYP4F2CYP4A11NPC1RAB9A
SCHEMBL17468329 0.77 ALDH1A1 (0.65) ALDH1A1TDP1ADAMTS4HPGDMAPT
SCHEMBL9589260 0.77 ALDH1A1 (0.59) ALDH1A1TDP1ADAMTS4NPC1RAB9A
SCHEMBL19068065 0.77 CYP4F2 (0.54) ALDH1A1CYP4F2CYP4A11NPC1RAB9A
SCHEMBL5109307 0.77 KDM4E (0.58) ALDH1A1CYP4F2CYP4A11NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022103149-A1 NOVEL CARBAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 큐라클 2022-05-19 — — WO disclosed
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