SCHEMBL29664960

SCHEMBL29664960

Clc1nc(NCc2ccco2)c2ncn(C3CCCO3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.59
▸ ADORA3 P0DMS8 6/20 0.52
▸ ADORA2A P29274 4/20 0.52
▸ ADORA1 P30542 4/20 0.52
▸ ADORA2B P29275 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CYP1A2 P05177 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ SLC29A1 Q99808 1/20 0.42

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
SCHEMBL18587976 1.00 YTHDC1 (0.59) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20547190 0.97 YTHDC1 (0.64) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL29659519 0.97 YTHDC1 (0.64) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL18587833 0.91 YTHDC1 (0.58) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL30410701 0.89 SMN1; SMN2 (0.50) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL29659620 0.88 YTHDC1 (0.51) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20547532 0.88 YTHDC1 (0.51) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20547474 0.87 FLT3 (0.49) YTHDC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6820915 0.86 ADORA3 (0.57) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL20547431 0.86 SMN1; SMN2 (0.48) YTHDC1ADORA3ADORA2AADORA1ADORA2B

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-3341371-B1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIV PALACKEHO (CZ) 2022-06-29 — — EP claimed
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