SCHEMBL25917039

SCHEMBL25917039

N=Cc1cc(Cc2ccccc2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CALM1 P0DP23 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 3/20 0.41
CDC25B P30305 1/20 0.41
CASP6 P55212 1/20 0.41
RCE1 Q9Y256 1/20 0.41
LTA4H P09960 3/20 0.40
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 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
SCHEMBL17196034 0.77 LOXL2 (0.39) KDM4EMEN1POLBGAAMAPT
SCHEMBL3187102 0.77 CALM1 (0.55) IDH1KDM4EMEN1POLBGAA
SCHEMBL19315909 0.76 TRPA1 (0.42) KDM4EMEN1POLBGAAMAPT
SCHEMBL564637 0.76 KDM4E (0.80) IDH1KDM4EMEN1POLBGAA
SCHEMBL25049607 0.75 KDM4E (0.37) KDM4EMEN1POLBGAAMAPT
SCHEMBL6138207 0.75 GAA (0.48) IDH1KDM4EMEN1POLBGAA
SCHEMBL15589681 0.73 MAOB (0.53) GAAMAPTRAB9ACYP3A4
SCHEMBL20961910 0.73 SKP2 (0.44) KDM4EMEN1POLBGAAMAPT
SCHEMBL7285039 0.72 CALM1 (0.48) IDH1KDM4EMEN1POLBGAA
SCHEMBL6351215 0.72 CYP3A4 (0.80) IDH1KDM4EMEN1POLBGAA

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-4215525-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2023-07-26 EP disclosed