SCHEMBL22474786

SCHEMBL22474786

O=C(Cc1cccs1)NC1BOc2c(cccc2C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL22474799 0.80 ALDH1A1 (0.35) ALDH1A1
SCHEMBL15868268 0.77 SIGMAR1 (0.40) HPGDALDH1A1SIGMAR1RAB9APOLB
SCHEMBL20807130 0.76 PARP1 (0.40) HPGDALDH1A1RAB9AKDM4EHSD17B10
SCHEMBL23837552 0.76 MTNR1A (0.36) RAB9AKMT2AMEN1
SCHEMBL18966760 0.74 PARP1 (0.34) —
SCHEMBL23130227 0.74 KMT2A (0.44) POLBKMT2A
SCHEMBL23837606 0.73 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL23644550 0.69 PARP1 (0.42) ALDH1A1
SCHEMBL18089666 0.69 SMN1; SMN2 (0.40) HPGDALDH1A1SIGMAR1RAB9APOLB
SCHEMBL23129889 0.69 ALDH1A1 (0.43) ALDH1A1KDM4ETP53CYP3A4

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
EP-3145936-B1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA INC (US) 2020-09-30 — — EP disclosed
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