SCHEMBL8967233

SCHEMBL8967233

CC(=O)c1ccnc(-c2ccccn2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.72
KDM4C Q9H3R0 4/20 0.72
KDM6B O15054 2/20 0.72
KDM5C P41229 2/20 0.72
KDM2A Q9Y2K7 2/20 0.72
KDM3A Q9Y4C1 2/20 0.72
KDM4A O75164 1/20 0.72
ALDH1A1 P00352 3/20 0.51
P4HTM Q9NXG6 2/20 0.50
LMNA P02545 2/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
KMT2A Q03164 2/20 0.49

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
SCHEMBL12934615 0.89 KDM5C (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL10020875 0.86 KDM4E (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
Dipyridyl SCHEMBL3941503 0.84 KDM4C (1.00) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL913277 0.84 KDM4C (1.00) KDM4EKDM4CKDM6BKDM5CKDM2A
Dipyridyl SCHEMBL21551506 0.84 KDM4C (1.00) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL29562841 0.84 KDM4C (1.00) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL5670461 0.82 KDM4E (0.72) KDM4EKDM4CKDM6BKDM5CKDM2A
Dipyridyl SCHEMBL3954422 0.82 KDM4C (0.96) KDM4EKDM4CKDM6BKDM5CKDM2A
Dipyridyl SCHEMBL8358045 0.82 KDM4C (0.96) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL31085057 0.82 KDM4C (0.56) KDM4EKDM4CKDM6BKDM5CKDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502070-A INSECTICIDES, MITICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
EP-0591785-A1 Substituted 3,4-hetarylpyrazolines, process for their preparation and their use as pesticides BAYER AG (DE) 1994-04-13 EP disclosed