SCHEMBL18602124

SCHEMBL18602124

CCCCc1cc(C)cc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOS2 P35228 1/20 0.40
TYR P14679 2/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SKP2 Q13309 1/20 0.37
CYP19A1 P11511 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
PTGS2 P35354 1/20 0.33
POLB P06746 1/20 0.33
TLR8 Q9NR97 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
SCHEMBL1610692 0.81 TAAR1 (0.31)
SCHEMBL1287616 0.80 TYR (0.39) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL4803729 0.79 HTT (0.50) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL30568741 0.79 HTT (0.47) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL13890665 0.79 NOS2 (0.46) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL1610234 0.79 TAAR1 (0.31)
SCHEMBL549360 0.79 HTT (0.47) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL1609292 0.78 MAPT (0.32) MAPTSMN1; SMN2
SCHEMBL1611563 0.78 MAPT (0.32) MAPTSMN1; SMN2
SCHEMBL1610544 0.78 MAPT (0.32) MAPTSMN1; SMN2

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-2917217-B1 SUBSTITUTED TRICYCLIC BENZIMIDAZOLES AS KINASE INHIBITORS SELVITA S A (PL) 2017-03-08 EP disclosed