SCHEMBL9778802

SCHEMBL9778802

Clc1cccc(OCCOc2ccc(C3SCCS3)cc2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 4/20 0.41
CISD1 Q9NZ45 2/20 0.39
CASR P41180 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL9778788 0.85 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAL3MBTL1TDP1
SCHEMBL9778436 0.79 MAOB (0.51) ALDH1A1KDM4ELMNAMAPTDRD2
SCHEMBL9778832 0.78 S1PR4 (0.44) ALDH1A1KDM4ELMNAL3MBTL1TDP1
SCHEMBL9778517 0.78 TDP1 (0.50) ALDH1A1KDM4ELMNAL3MBTL1TDP1
SCHEMBL9778910 0.78 LMNA (0.49) ALDH1A1SMN1; SMN2KDM4ELMNACYP2D6
SCHEMBL9778698 0.78 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAL3MBTL1MAPT
SCHEMBL9778786 0.77 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2KDM4ELMNAL3MBTL1
SCHEMBL9778730 0.74 NR4A2 (0.52) ALDH1A1KDM4ELMNATDP1TP53
SCHEMBL9778855 0.74 MAOB (0.49) ALDH1A1KDM4ELMNAMAPTDRD2
SCHEMBL9778652 0.73 KCNA3 (0.55) ALDH1A1KDM4ELMNAMAPTDRD2

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
US-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed