SCHEMBL9628993

SCHEMBL9628993

COc1ccc(N2N=C(c3ccccc3)CC2c2ccc(O)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
KDM4E B2RXH2 3/20 0.78
ALDH1A1 P00352 3/20 0.78
MAPT P10636 3/20 0.78
LMNA P02545 1/20 0.78
PDE5A O76074 7/20 0.78
L3MBTL1 Q9Y468 4/20 0.74
GLA P06280 3/20 0.74
POLB P06746 1/20 0.74
PRKCZ Q05513 1/20 0.72
CA12 O43570 1/20 0.71
CA9 Q16790 1/20 0.71
GAA P10253 3/20 0.71
NPSR1 Q6W5P4 2/20 0.71
ATM Q13315 2/20 0.71
CDC42 P60953 1/20 0.71
EGFR P00533 2/20 0.69
USP2 O75604 1/20 0.67
TDP1 Q9NUW8 1/20 0.67

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
SCHEMBL11126048 0.94 PDE5A (0.83) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL11122272 0.94 PDE5A (0.83) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL15301136 0.94 KDM4E (0.88) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL15301042 0.91 MEN1 (0.83) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL8171663 0.91 MEN1 (0.83) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL15301347 0.89 MEN1 (0.82) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL10362296 0.89 EGFR (0.81) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL16740584 0.88 KDM4E (0.78) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL25667063 0.88 KDM4E (0.82) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL12493661 0.87 PDE5A (1.00) MEN1KMT2AKDM4EALDH1A1MAPT

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-5095029-A FUNGICIDAL 1,3,5-TRIARYL-2-PYRAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0409026-A1 Fungicidal agent based on 1,3,5-triaryl-2-pyrazolin derivatives new 1,3,5-triaryl-2-pyrazolins and process for their preparation BAYER AG (DE) 1991-01-23 EP disclosed