SCHEMBL18587833

SCHEMBL18587833

Clc1nc(NCCc2ccco2)c2ncn(C3CCCO3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.58
▸ PDE8B O95263 1/20 0.47
▸ ADORA3 P0DMS8 5/20 0.46
▸ ADORA1 P30542 4/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ADORA2A P29274 3/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ FLT3 P36888 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 0.91 YTHDC1 (0.59) YTHDC1ADORA3ADORA1NPC1RAB9A
SCHEMBL29664960 0.91 YTHDC1 (0.59) YTHDC1ADORA3ADORA1NPC1RAB9A
SCHEMBL29659519 0.89 YTHDC1 (0.64) YTHDC1ADORA3ADORA1NPC1RAB9A
SCHEMBL20547190 0.89 YTHDC1 (0.64) YTHDC1ADORA3ADORA1NPC1RAB9A
SCHEMBL18587515 0.84 YTHDC1 (0.57) YTHDC1ADORA3ADORA1NPC1RAB9A
SCHEMBL5695023 0.84 YTHDC1 (0.65) YTHDC1ADORA3ADORA1NPC1RAB9A
SCHEMBL18587529 0.81 YTHDC1 (0.64) YTHDC1ADORA3ADORA1NPC1RAB9A
SCHEMBL20547426 0.81 NPC1 (0.68) YTHDC1ADORA3ADORA1NPC1RAB9A
SCHEMBL28433352 0.80 YTHDC1 (0.74) YTHDC1ADORA3ADORA1NPC1RAB9A
SCHEMBL17902915 0.80 YTHDC1 (0.71) YTHDC1ADORA3ADORA1NPC1RAB9A

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-3341371-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS Univerzita Palackého V Olomouci (CZ) 2018-07-04 — — EP claimed
WO-2017036434-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2017-03-09 — — WO claimed
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