SCHEMBL9404930

SCHEMBL9404930

N#CCNc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.54
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ HSD17B10 Q99714 1/20 0.50
▸ POLB P06746 2/20 0.48
▸ PDK1 Q15118 1/20 0.48
▸ PDK2 Q15119 1/20 0.48
▸ PDK3 Q15120 1/20 0.48
▸ PDK4 Q16654 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ MCL1 Q07820 1/20 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
SCHEMBL28182819 0.83 MEN1 (0.56) VCAM1MEN1KMT2AHSD17B10POLB
SCHEMBL4361693 0.80 HSD17B10 (0.60) VCAM1MEN1KMT2AHSD17B10POLB
SCHEMBL8245369 0.77 KAT2B (0.56) MEN1KMT2AHSD17B10POLBPDK1
SCHEMBL113357 0.77 KMT2A (0.61) MEN1KMT2AHSD17B10POLBPDK1
SCHEMBL9404937 0.76 MEN1 (0.56) MEN1KMT2AHSD17B10POLBPDK1
SCHEMBL9213419 0.75 HSD17B10 (0.57) MEN1KMT2AHSD17B10POLBALDH1A1
SCHEMBL10891727 0.74 MEN1 (0.48) MEN1KMT2AHSD17B10POLBPDK1
SCHEMBL5462968 0.74 HSD17B10 (0.56) VCAM1MEN1KMT2AHSD17B10POLB
SCHEMBL5462964 0.74 HSD17B10 (0.56) VCAM1MEN1KMT2AHSD17B10POLB
SCHEMBL5516694 0.74 MAPT (0.69) MEN1KMT2AHSD17B10POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296597-B1 Hexa-cyclic compound DAIICHI SEIYAKU CO (JP) 1994-09-21 — — EP disclosed
US-5061795-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 — — US disclosed
US-4939255-A Hexa-cyclic camptothecin derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-07-03 — — US disclosed
EP-0296597-A2 Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1988-12-28 — — EP disclosed
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