SCHEMBL9535199

SCHEMBL9535199

CC(=O)NCCNN=Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 9/20 0.47
▸ MTNR1B P49286 9/20 0.47
▸ MAPT P10636 6/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ CA12 O43570 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40

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
SCHEMBL9535196 1.00 MTNR1A (0.47) MTNR1AMTNR1BMAPTRAB9ANPC1
SCHEMBL3424244 0.77 MAPT (0.50) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL3426361 0.74 TDP1 (0.47) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL4291161 0.74 MAPT (0.56) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL10457876 0.74 TDP1 (0.47) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL10459037 0.73 CYP1A1 (0.45) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL3423108 0.73 TDP1 (0.45) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL10459036 0.73 CYP1A1 (0.45) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL3501694 0.70 TSHR (0.50) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL9877670 0.70 TOP2A (0.51) MAPTRAB9ANPC1SMN1; SMN2MEN1

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-0324109-B1 6-SUBSTITUTED MITOMYCIN ANALOGS UNIVERSITY PATENTS, INC. (US) 1993-09-29 — — EP disclosed
US-5023253-A Antitumor agents UNIVERSITY PATENTS, INC. (US) 1991-06-11 — — US disclosed
EP-0324109-A2 6-substituted mitomycin analogs UNIVERSITY PATENTS, INC. (US) 1989-07-19 — — EP disclosed
WO-1989005811-A1 NEW 6-SUBSTITUTED MITOMYCIN ANALOGS UNIVERSITY PATENTS, INC. (US) 1989-06-29 — — WO disclosed
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