SCHEMBL29846602

SCHEMBL29846602

C[C@H](NC(=O)c1nccc2ccccc12)C1=NOC(Cc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.47
▸ CCR1 P32246 1/20 0.45
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ ACACB O00763 1/20 0.37
▸ ACKR3 P25106 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
SCHEMBL29846785 0.91 RAB9A (0.46) RAB9ACCR1MEN1TP53MAPT
SCHEMBL29846515 0.89 CCR1 (0.49) RAB9ACCR1MEN1TP53MAPT
SCHEMBL29846597 0.79 RAB9A (0.47) RAB9ACCR1MEN1TP53MAPT
SCHEMBL25398794 0.75 CCR1 (0.44) RAB9ACCR1MEN1TP53MAPT
SCHEMBL25398790 0.75 CCR1 (0.44) RAB9ACCR1MEN1TP53MAPT
SCHEMBL29846798 0.74 RAB9A (0.46) RAB9ACCR1MEN1TP53MAPT
SCHEMBL29846437 0.72 RAB9A (0.46) RAB9AMEN1TP53MAPTTSHR
SCHEMBL29846570 0.72 RAB9A (0.46) RAB9AMEN1TP53MAPTTSHR
SCHEMBL29846329 0.72 CCR1 (0.49) RAB9ACCR1MEN1TP53MAPT
SCHEMBL24898028 0.71 RAB9A (0.55) RAB9ACCR1MEN1TP53MAPT

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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