SCHEMBL20428491

SCHEMBL20428491

C=C(C)c1ccc(-c2ccc(C)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ LDHA P00338 1/20 0.43
▸ CCR1 P32246 1/20 0.42
▸ CCR5 P51681 1/20 0.42
▸ CCR8 P51685 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ METAP2 P50579 1/20 0.42
▸ METAP1 P53582 1/20 0.42
▸ BAZ2B Q9UIF8 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ CSF1R P07333 1/20 0.39

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
SCHEMBL14054202 0.84 LDHA (0.62) RXFP1NPC1LDHABAZ2BSMN1; SMN2
SCHEMBL16991665 0.82 NPC1 (0.51) RXFP1KDM1ANPC1LDHABAZ2B
SCHEMBL23110059 0.80 RXFP1 (0.40) RXFP1KDM1ANPC1LDHACCR1
SCHEMBL27702582 0.80 NPC1 (0.67) RXFP1KDM1ANPC1LDHACCR1
SCHEMBL5428820 0.79 LDHA (0.71) RXFP1NPC1LDHABAZ2BSMN1; SMN2
SCHEMBL12647420 0.77 HPGDS (0.55) RXFP1KDM1ANPC1LDHABAZ2B
SCHEMBL20428452 0.77 KDM1A (0.46) RXFP1KDM1ANPC1LDHACCR1
SCHEMBL2477927 0.76 CCR1 (0.71) KDM1ANPC1CCR1CCR5CCR8
SCHEMBL94501 0.76 ALDH1A1 (0.52) NPC1HDAC6SMN1; SMN2RAB9AMEN1
SCHEMBL21033709 0.75 TDP1 (0.59) RXFP1NPC1LDHABAZ2BSMN1; 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-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 — — EP disclosed
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