SCHEMBL7369736

SCHEMBL7369736

CCCn1nc(-c2ccc(C)c(C(=O)OC)c2)c2cccnc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7363886 0.92 KDM4E (0.44) TSHRMEN1KMT2AGAAKDM4E
SCHEMBL7359750 0.87 PDE4A (0.50) TSHRKDM4EALDH1A1NPSR1CYP3A4
SCHEMBL7366365 0.86 PDE4A (0.52) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL7367933 0.85 ALDH1A1 (0.56) TSHRMEN1KMT2AGAASMN1; SMN2
SCHEMBL7364396 0.84 ALDH1A1 (0.52) TSHRMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL7365735 0.84 PDE4A (0.44) TSHRMEN1KMT2AGAAKDM4E
SCHEMBL7369732 0.82 KDM4E (0.44) TSHRKDM4ESMN1; SMN2HPGDALDH1A1
SCHEMBL7363039 0.82 PDE4A (0.47) MEN1KMT2AGAAKDM4ESMN1; SMN2
SCHEMBL7370274 0.79 PDE4A (0.52) GAAKDM4EALDH1A1NPSR1CYP3A4
SCHEMBL7370600 0.79 MEN1 (0.51) MEN1KMT2AGAASMN1; SMN2ALDH1A1

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
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed