SCHEMBL7985671

SCHEMBL7985671

CCn1ncc(C(=O)c2ccc(Cl)c3ncccc23)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 2/20 0.44
KDM4E B2RXH2 8/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KDM4A O75164 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM6B O15054 1/20 0.41
KDM6A O15550 1/20 0.41
TET3 O43151 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
TET2 Q6N021 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
TET1 Q8NFU7 1/20 0.41
FTO Q9C0B1 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
BRD4 O60885 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7982788 0.86 COMT (0.44) COMTKDM4EL3MBTL1KDM4AKDM4C
SCHEMBL7989306 0.79 KDM4E (0.37) COMTKDM4EL3MBTL1KDM4AKDM4C
SCHEMBL27524777 0.75 LMNA (0.44) LMNAPDE4BRAB9ASMN1; SMN2TDP1
SCHEMBL10668544 0.74 RAB9A (0.50) KDM4EL3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL4245180 0.74 RAB9A (0.38) LMNAPDE4BRAB9ASMN1; SMN2TDP1
SCHEMBL3436915 0.72 RAB9A (0.36) BRD4LMNARAB9ASMN1; SMN2TDP1
SCHEMBL7986492 0.71 COMT (0.50) COMTKDM4EL3MBTL1KDM4AKDM4C
SCHEMBL9076246 0.71 SMN1; SMN2 (0.38) KDM4ELMNAPDE4BRAB9ASMN1; SMN2
SCHEMBL9076935 0.71 SMN1; SMN2 (0.40) KDM4EL3MBTL1LMNAMAPTRAB9A
Ethanesulfonic Acid Amide SCHEMBL3436960 0.70 ALDH1A1 (0.37) LMNAPDE4DRAB9ASMN1; SMN2TDP1

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
US-6262074-B1 4-Hetaroylpyrazol derivatives and the use thereof as herbicides BASF AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed
CN-1235600-A 4-hetaroylpyrazol derivatives BASF AG (DE) 1999-11-17 CN disclosed
EP-0929546-A1 4-HETAROYLPYRAZOL DERIVATIVES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1998012192-A1 4-HETAROYLPYRAZOL DERIVATIVES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed