SCHEMBL23716227

SCHEMBL23716227

C/C(C#N)=C\C=C(/N)Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 4/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
IDO1 P14902 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33

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
SCHEMBL23716362 0.82 IDO1 (0.39) ALDH1A1TDP1MAPTSMN1; SMN2LMNA
SCHEMBL23716034 0.80 IDO1 (0.38) ALDH1A1TDP1MAPTSMN1; SMN2LMNA
SCHEMBL23716096 0.79 IDO1 (0.37) ALDH1A1TDP1MAPTSMN1; SMN2LMNA
SCHEMBL23716382 0.72 LOXL2 (0.42) KMT2ASMN1; SMN2TSHRL3MBTL1IDO1
SCHEMBL27760048 0.69 IDO1 (0.47) ALDH1A1L3MBTL1IDO1NPC1RAB9A
SCHEMBL23716379 0.67 IDO1 (0.38) ALDH1A1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL23715988 0.66 IDO1 (0.40) MAPTLMNAL3MBTL1IDO1NPC1
SCHEMBL11761824 0.65 GABRA1 (0.58) GABRA1GABRG2GABRB3KDM4EALDH1A1
SCHEMBL10445460 0.65 NPC1 (0.47) ALDH1A1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL11761830 0.65 GABRA1 (0.58) GABRA1GABRG2GABRB3KDM4EALDH1A1

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