SCHEMBL11005582

SCHEMBL11005582

NNC(=O)c1ccc(Cc2ccccc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.47
▸ PLA2G10 O15496 1/20 0.46
▸ PLA2G2A P14555 1/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ P4HTM Q9NXG6 4/20 0.44
▸ P2RX7 Q99572 2/20 0.44
▸ VNN1 O95497 1/20 0.43
▸ LMNA P02545 1/20 0.42

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
SCHEMBL11633297 0.84 MMP13 (0.59) HIF1AALDH1A1
SCHEMBL5037300 0.83 PLA2G10 (0.58) HIF1APLA2G10PLA2G2AALDH1A1MAPT
SCHEMBL11629400 0.83 PARP1 (0.54) HIF1AHDAC3HDAC1HDAC8HDAC4
SCHEMBL6434986 0.83 P4HTM (0.62) HIF1APLA2G10PLA2G2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL11633575 0.81 P4HTM (0.61) HIF1APLA2G10PLA2G2AALDH1A1MAPT
SCHEMBL10932629 0.80 P4HTM (0.46) HIF1APLA2G10PLA2G2AALDH1A1MAPT
SCHEMBL11630275 0.79 MAPK1 (0.54) KDM4EP4HTMLMNA
SCHEMBL11383635 0.77 P4HTM (0.73) HIF1AHDAC6ALDH1A1MAPTNPC1
SCHEMBL10932632 0.76 CALM1 (0.44) PLA2G10PLA2G2AP4HTMLMNA
SCHEMBL5471298 0.75 PLA2G10 (0.66) HIF1APLA2G10PLA2G2AHDAC1HDAC8

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
EP-0139917-A1 Pharmaceutical preparations, acylated hydrazine derivatives, methods for their preparation CIBA-GEIGY AG (CH) 1985-05-08 — — EP disclosed
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