SCHEMBL24359481

SCHEMBL24359481

CC(C)N(C)CCCCCCC(=O)Nc1nc2cccnc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ TP53 P04637 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HDAC1 Q13547 6/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ POLB P06746 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ TSHR P16473 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KLF5 Q13887 1/20 0.40
▸ MAOB P27338 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
SCHEMBL31158400 1.00 MAPT (0.49) MAPTTP53LMNAHDAC1HDAC2
SCHEMBL24359484 0.84 MAPT (0.67) MAPTLMNAHDAC1HDAC2HDAC8
SCHEMBL24359485 0.78 LMNA (0.55) MAPTLMNANPC1ADORA2ARAB9A
SCHEMBL24359720 0.76 ALDH1A1 (0.61) MAPTLMNAHDAC1HDAC2HDAC8
SCHEMBL29516047 0.76 ALDH1A1 (0.61) MAPTLMNAHDAC1HDAC2HDAC8
SCHEMBL29516298 0.73 MAOB (0.52) MAPTHDAC1HDAC2HDAC8HDAC6
SCHEMBL24359463 0.73 MAOB (0.52) MAPTHDAC1HDAC2HDAC8HDAC6
SCHEMBL24359609 0.72 HDAC1 (0.69) MAPTHDAC1HDAC2HDAC8HDAC6
SCHEMBL185171 0.71 DYRK1A (0.60) POLBNPC1ADORA1RAB9ASMN1; SMN2
SCHEMBL24142457 0.69 ALDH1A1 (0.49) MAPTTP53LMNAPOLBNPC1

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
WO-2022087456-A1 NEW COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 — — WO disclosed
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