SCHEMBL23715924

SCHEMBL23715924

Cc1ccc(CON=C(N)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.55
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 10/20 0.51
RAB9A P51151 10/20 0.51
TDP1 Q9NUW8 2/20 0.50
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
CYP2D6 P10635 1/20 0.47
HIF1A Q16665 1/20 0.47
PKM P14618 2/20 0.45

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
SCHEMBL14902855 0.94 L3MBTL1 (0.62) L3MBTL1MAPTALDH1A1KDM4ENPC1
SCHEMBL10101731 0.82 L3MBTL1 (0.68) L3MBTL1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10054644 0.81 SMN1; SMN2 (0.50) L3MBTL1MAPTALDH1A1KDM4ENPC1
SCHEMBL8363638 0.81 SMN1; SMN2 (0.50) L3MBTL1MAPTALDH1A1KDM4ENPC1
Hydrochloric Acid SCHEMBL6648935 0.79 MAOB (0.50) L3MBTL1MAPTALDH1A1KDM4ENPC1
Hydrochloric Acid SCHEMBL6786483 0.79 MAOB (0.50) L3MBTL1MAPTALDH1A1KDM4ENPC1
SCHEMBL10406690 0.76 ALDH1A1 (0.59) L3MBTL1MAPTALDH1A1NPC1RAB9A
SCHEMBL7399653 0.75 NPSR1 (0.50) L3MBTL1MAPTNPC1RAB9ATDP1
SCHEMBL23486912 0.75 L3MBTL1 (0.67) L3MBTL1MAPTALDH1A1KDM4ENPC1
SCHEMBL2755830 0.73 L3MBTL1 (0.50) L3MBTL1MAPTALDH1A1NPC1RAB9A

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-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed