SCHEMBL30362498

SCHEMBL30362498

O=C(Nc1ccccn1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.72
▸ TSHR P16473 1/20 0.72
▸ CASP1 P29466 1/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.72
▸ HSD17B10 Q99714 1/20 0.72
▸ PTGS1 P23219 2/20 0.67
▸ TLR7 Q9NYK1 2/20 0.66
▸ LMNA P02545 1/20 0.63
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ KCNK3 O14649 1/20 0.60
▸ MAPT P10636 2/20 0.60
▸ POLB P06746 1/20 0.60
▸ APEX1 P27695 1/20 0.60
▸ P2RX1 P51575 1/20 0.59
▸ KCNQ3 O43525 1/20 0.59
▸ KCNQ2 O43526 1/20 0.59
▸ KCNE1 P15382 1/20 0.59
▸ KCNQ1 P51787 1/20 0.59
▸ KCNQ5 Q9NR82 1/20 0.59

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
SCHEMBL18131146 0.85 RAB9A (0.78) NPSR1PTGS1TLR7LMNANPC1
SCHEMBL20526139 0.83 NPC1 (0.56) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL30362429 0.81 MEN1 (0.72) TSHRLMNANPC1RAB9AKCNK3
SCHEMBL3246039 0.80 MEN1 (0.75) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL30354791 0.80 PTGS1 (1.00) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL29151281 0.80 PTGS1 (1.00) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL1968503 0.80 ALOX15 (0.60) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL18094556 0.80 TLR7 (0.55) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL1464168 0.80 KMT2A (0.69) LMNANPC1RAB9AMAPTPOLB
SCHEMBL1767502 0.79 LMNA (0.59) ALOX15TSHRCASP1NPSR1HSD17B10

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
CN-109843858-B Certain chemical entities, compositions and methods 润新生物公司 2023-05-05 — — CN disclosed
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