SCHEMBL11727356

SCHEMBL11727356

Cn1c([N+](=O)[O-])cnc1-c1nc2ccccc2n1CCCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ PKM P14618 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ CXCR3 P49682 1/20 0.39
▸ CTSD P07339 3/20 0.39
▸ GUSB P08236 2/20 0.39
▸ HPGD P15428 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CFTR P13569 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
SCHEMBL11725390 0.88 ALDH1A1 (0.52) ALDH1A1PKMRAB9ARXFP1MEN1
SCHEMBL11725307 0.86 POLB (0.46) ALDH1A1PKMRAB9ARXFP1MEN1
SCHEMBL11720085 0.86 ALDH1A1 (0.39) ALDH1A1PKMRAB9ARXFP1MEN1
Hydrochloric Acid SCHEMBL11724250 0.85 POLB (0.45) ALDH1A1PKMRAB9ARXFP1MEN1
SCHEMBL11724229 0.84 ALDH1A1 (0.49) ALDH1A1PKMRAB9ARXFP1LMNA
SCHEMBL11725333 0.84 ALDH1A1 (0.59) ALDH1A1PKMRAB9ARXFP1MEN1
SCHEMBL11722066 0.84 LMNA (0.43) ALDH1A1PKMRAB9ARXFP1MEN1
Hydrochloric Acid SCHEMBL11723570 0.84 ALDH1A1 (0.48) ALDH1A1PKMRAB9ARXFP1MEN1
SCHEMBL11723851 0.84 ALDH1A1 (0.51) ALDH1A1PKMRAB9AMEN1KMT2A
SCHEMBL11717303 0.84 ALDH1A1 (0.51) ALDH1A1PKMRAB9AMEN1KMT2A

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
US-4053472-A MICROBIOCIDES SCHERING AKTIENGESELLSCHAFT (DT) 1977-10-11 — — US disclosed
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