SCHEMBL19768688

SCHEMBL19768688

CC[C@H]1O[C@@H](n2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)[nH]c2=O)[C@@H](C)C1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ SIRT1 Q96EB6 3/20 0.48
▸ PTGS1 P23219 5/20 0.48
▸ PTGS2 P35354 4/20 0.48
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ POLB P06746 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CCND1 P24385 1/20 0.45

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
SCHEMBL25697671 1.00 MEN1 (0.48) MEN1KMT2ASIRT1PTGS1PTGS2
SCHEMBL27237069 0.82 CDK4 (0.46) MEN1KMT2ASIRT1PTGS1PTGS2
SCHEMBL27237059 0.81 NPC1 (0.46) MEN1KMT2ASIRT1PTGS1PTGS2
SCHEMBL25697678 0.80 P2RY2 (0.40) MEN1KMT2ANPC1PKM
SCHEMBL25697668 0.80 F12 (0.41) —
SCHEMBL27237056 0.78 TK1 (0.50) MEN1KMT2ASIRT1PTGS1NPC1
SCHEMBL25697669 0.76 P2RY2 (0.42) —
SCHEMBL25824045 0.70 P2RY2 (0.48) —
SCHEMBL19834966 0.69 TK2 (0.42) —
SCHEMBL19834968 0.68 TK2 (0.43) —

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
US-20180016581-A1 NUCLEIC ACID COMPOUNDS FOR BINDING GROWTH DIFFERENTIATION FACTOR 8 SOMALOGIC, INC. (US) 2018-01-18 — — US disclosed
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