SCHEMBL29664969

SCHEMBL29664969

CC(Nc1nc(Cl)nc2c1ncn2C1CCCO1)c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.59
▸ ADORA3 P0DMS8 7/20 0.43
▸ ADORA1 P30542 7/20 0.43
▸ FLT3 P36888 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ADORA2A P29274 3/20 0.40
▸ CYP2C19 P33261 1/20 0.39
▸ HTR2C P28335 3/20 0.39
▸ HTR2B P41595 3/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ TSPO P30536 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL20533712 1.00 YTHDC1 (0.59) YTHDC1ADORA3ADORA1FLT3NPC1
SCHEMBL18587527 0.86 NPC1 (0.52) YTHDC1FLT3NPC1RAB9ASMN1; SMN2
SCHEMBL29664979 0.86 NPC1 (0.52) YTHDC1FLT3NPC1RAB9ASMN1; SMN2
SCHEMBL29665008 0.83 YTHDC1 (0.61) YTHDC1ADORA3ADORA1FLT3NPC1
SCHEMBL20533803 0.83 YTHDC1 (0.61) YTHDC1ADORA3ADORA1FLT3NPC1
SCHEMBL29664972 0.82 YTHDC1 (0.61) YTHDC1ADORA3ADORA1FLT3NPC1
SCHEMBL18587078 0.82 YTHDC1 (0.61) YTHDC1ADORA3ADORA1FLT3NPC1
SCHEMBL17902901 0.81 YTHDC1 (0.79) YTHDC1ADORA3ADORA1FLT3NPC1
SCHEMBL18587965 0.80 YTHDC1 (0.59) YTHDC1ADORA3ADORA1NPC1RAB9A
SCHEMBL29664961 0.80 YTHDC1 (0.59) 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 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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