SCHEMBL30675136

SCHEMBL30675136

OCCNc1nc(NCc2ccco2)c2ncn(C3CCCCO3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ FLT3 P36888 4/20 0.51
▸ CDK2 P24941 6/20 0.47
▸ CCNE1 P24864 5/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ CDK1 P06493 6/20 0.46
▸ YTHDC1 Q96MU7 1/20 0.46
▸ CDK5 Q00535 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CCNB2 O95067 1/20 0.45
▸ CCNE2 O96020 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CCNB1 P14635 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
SCHEMBL20547610 0.89 NPC1 (0.52) SMN1; SMN2NPC1RAB9AFLT3CDK2
SCHEMBL29659648 0.89 NPC1 (0.52) SMN1; SMN2NPC1RAB9AFLT3CDK2
SCHEMBL29659565 0.89 SRC (0.54) SMN1; SMN2NPC1RAB9AFLT3CDK2
SCHEMBL20547180 0.89 SRC (0.54) SMN1; SMN2NPC1RAB9AFLT3CDK2
SCHEMBL29659534 0.88 YTHDC1 (0.55) SMN1; SMN2NPC1RAB9AFLT3CDK2
SCHEMBL20547188 0.88 YTHDC1 (0.55) SMN1; SMN2NPC1RAB9AFLT3CDK2
SCHEMBL20547474 0.86 FLT3 (0.49) SMN1; SMN2NPC1RAB9AFLT3CDK2
SCHEMBL20547441 0.86 SRC (0.53) SMN1; SMN2NPC1RAB9AFLT3CDK2
SCHEMBL20547532 0.85 YTHDC1 (0.51) SMN1; SMN2NPC1RAB9AFLT3CDK2
SCHEMBL29659620 0.85 YTHDC1 (0.51) SMN1; SMN2NPC1RAB9AFLT3CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4532498-A1 HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND THERAPY OF CIRCADIAN RHYTHM DISORDERS Univerzita Palackého v Olomouci (CZ) 2025-04-09 — — EP disclosed
WO-2023232171-A1 HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND THERAPY OF CIRCADIAN RHYTHM DISORDERS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2023-12-07 — — WO disclosed
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