SCHEMBL29846911

SCHEMBL29846911

O=C(NCC1=NOC2CCCC12)c1nccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.47
▸ CNR2 P34972 7/20 0.44
▸ CNR1 P21554 6/20 0.44
▸ EGFR P00533 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ CCR3 P51677 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DGAT2 Q96PD7 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37

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
SCHEMBL25400465 0.74 RAB9A (0.47) RAB9ACNR2EGFRBTKMEN1
SCHEMBL8790412 0.73 RAB9A (0.77) RAB9AEGFRBTKMEN1TP53
SCHEMBL25401494 0.72 RAB9A (0.44) RAB9ACNR2EGFRBTKMEN1
SCHEMBL25399740 0.71 RAB9A (0.41) RAB9ACNR2CNR1EGFRBTK
SCHEMBL28238553 0.71 RAB9A (0.62) RAB9ACNR2EGFRBTKMEN1
SCHEMBL29846828 0.70 RAB9A (0.42) RAB9ACNR2CNR1EGFRBTK
SCHEMBL29846803 0.69 RAB9A (0.46) RAB9ACNR2EGFRBTKMEN1
SCHEMBL24898159 0.69 RAB9A (0.66) RAB9ACNR2MEN1TP53MAPT
SCHEMBL29846535 0.69 RAB9A (0.47) RAB9ACNR2CNR1EGFRBTK
SCHEMBL29847025 0.69 RAB9A (0.47) RAB9AEGFRBTKMEN1TP53

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-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 — — WO disclosed
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