SCHEMBL26558994

SCHEMBL26558994

C[SH](C)NCC1CCCN(c2ncnc3cc(F)ccc23)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 15/20 0.48
▸ HTT P42858 1/20 0.42
▸ PDE3A Q14432 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ENPP1 P22413 1/20 0.40

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
SCHEMBL26559079 0.87 PRKDC (0.49) PRKDCCYP1A2CYP2D6
SCHEMBL21664254 0.87 ENPP1 (0.48) PRKDCHTTENPP1
SCHEMBL26563939 0.86 PRKDC (0.48) PRKDCHTTPDE3ATP53CYP1A2
SCHEMBL30562899 0.78 HTT (0.50) PRKDCHTTCYP1A2ENPP1
SCHEMBL21664258 0.78 HTT (0.50) PRKDCHTTCYP1A2ENPP1
SCHEMBL26552236 0.78 PRKDC (0.47) PRKDCHTTPDE3ATP53ENPP1
SCHEMBL26552621 0.78 HTT (0.49) PRKDCHTTPDE3ATP53ENPP1
SCHEMBL26563914 0.78 HTT (0.55) PRKDCHTTPDE3ATP53ENPP1
SCHEMBL26558976 0.76 HTT (0.50) PRKDCHTTPDE3ATP53ENPP1
SCHEMBL21664236 0.76 ENPP1 (0.47) PRKDCPDE3ATP53ENPP1

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-3551188-B1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS SOUTHERN RES INST (US) 2023-10-18 — — EP disclosed
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