SCHEMBL26229880

SCHEMBL26229880

C[C@]1(COC(=O)Cc2ccccc2)O[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.46
▸ DOT1L Q8TEK3 3/20 0.39
▸ RIPK1 Q13546 4/20 0.35
▸ TNK2 Q07912 1/20 0.34
▸ MGLL Q99685 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL26230098 0.89 POLRMT (0.48) POLRMTDOT1LRIPK1TNK2
SCHEMBL26826369 0.89 POLRMT (0.45) POLRMTDOT1LRIPK1TNK2
SCHEMBL26229753 0.87 POLRMT (0.47) POLRMTDOT1LRIPK1TNK2
SCHEMBL26230341 0.87 POLRMT (0.49) POLRMTDOT1LRIPK1
SCHEMBL26229813 0.86 POLRMT (0.46) POLRMTDOT1LRIPK1
SCHEMBL26229760 0.86 POLRMT (0.46) POLRMTDOT1LRIPK1
SCHEMBL26230038 0.86 POLRMT (0.46) POLRMTDOT1LRIPK1
SCHEMBL25386653 0.85 POLRMT (0.44) POLRMTDOT1LRIPK1TNK2ALDH1A1
SCHEMBL26238995 0.85 POLRMT (0.48) POLRMTDOT1LRIPK1
SCHEMBL26230093 0.85 POLRMT (0.48) POLRMTDOT1LRIPK1

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
WO-2023168194-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
Send feedback