SCHEMBL9601582

SCHEMBL9601582

CN(C)CCCOc1ccc(N2N=C3c4ccccc4SCC3CC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
LSS P48449 1/20 0.37
MAOB P27338 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PARP1 P09874 1/20 0.35
CACNA1B Q00975 1/20 0.35
ESR1 P03372 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34

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
Fumaric Acid SCHEMBL9602442 0.93 KMT2A (0.42) MAPK14KMT2AMEN1KDM4ECYP2C19
Fumaric Acid SCHEMBL9602434 0.93 KMT2A (0.42) MAPK14KMT2AMEN1KDM4ECYP2C19
SCHEMBL9602794 0.85 CHRM2 (0.32) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL10561829 0.83 MAPT (0.42) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL9603113 0.83 MAPT (0.37) KMT2AMEN1GAAMAPTALDH1A1
Fumaric Acid SCHEMBL9867764 0.82 L3MBTL1 (0.40) KMT2AMEN1CYP2C19GAAMAPT
SCHEMBL9602381 0.81 TDP1 (0.39) KMT2AMEN1GAAMAPTCYP1A2
SCHEMBL10560355 0.81 HTT (0.38) KMT2AMEN1KDM4EGAAMAPT
Fumaric Acid SCHEMBL10445212 0.80 KMT2A (0.40) MAPK14KMT2AMEN1KDM4ECYP2C19
Fumaric Acid SCHEMBL9865749 0.80 KMT2A (0.40) MAPK14KMT2AMEN1KDM4ECYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP claimed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP claimed
EP-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP disclosed
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed