SCHEMBL28046952

SCHEMBL28046952

O=C(Nc1ccccc1)c1cccnc1-c1cc[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.55
KMT2A Q03164 8/20 0.53
MEN1 O00255 7/20 0.53
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
GLA P06280 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
METAP2 P50579 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46

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
SCHEMBL8867433 0.80 KDM4E (0.61) KMT2AMAPTALDH1A1RAB9ANPSR1
SCHEMBL27496890 0.79 PRKCI (0.65) PRKCIKMT2AMEN1MAPTALDH1A1
SCHEMBL17141443 0.77 PARP1 (0.45) MAPTALDH1A1RAB9AKDM4ELMNA
SCHEMBL31657672 0.77 PARP1 (0.45) MAPTALDH1A1RAB9AKDM4ELMNA
SCHEMBL8867445 0.76 KDM4E (0.42) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL30732413 0.75 PRKCI (0.56) PRKCIKMT2AMEN1MAPTALDH1A1
SCHEMBL8867005 0.72 TSHR (0.49) ALDH1A1RAB9AKDM4ELMNAHTT
SCHEMBL5755838 0.72 BRAF (0.44) KMT2AMEN1MAPTALDH1A1GAA
Oxalic Acid SCHEMBL28577579 0.71 PTGS1 (0.43) KMT2AMEN1ALDH1A1GAAKDM4E
Oxalic Acid SCHEMBL28571729 0.71 PTGS1 (0.43) KMT2AMEN1ALDH1A1GAAKDM4E

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
CN-105541716-B Process for producing pyrazole derivative AGC株式会社 2024-02-23 CN disclosed
CN-105541716-A Manufacturing method for pyrazole derivatives ASAHI GLASS CO LTD 2016-05-04 CN disclosed