SCHEMBL30812291

SCHEMBL30812291

CC(C)(O)c1ccc(OC(CCCCCN2CCNCC2)C2CC2)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CHRM2 P08172 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ HRH3 Q9Y5N1 5/20 0.34
▸ UTS2R Q9UKP6 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL30812271 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EHTTLMNAMEN1
SCHEMBL30811997 0.78 BRD9 (0.45) —
SCHEMBL31246021 0.69 UTS2R (0.35) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL31246003 0.67 KDM4E (0.48) ALDH1A1KDM4EHTTLMNAMEN1
SCHEMBL24083945 0.63 KMT2A (0.56) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30812175 0.63 UTS2R (0.35) UTS2RHTR1ACYP2D6DRD2HTR2C
SCHEMBL24083883 0.63 MEN1 (0.59) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL11496309 0.63 ALDH1A1 (0.43) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL31063294 0.63 PDE4A (0.43) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL24377888 0.62 KMT2A (0.55) ALDH1A1KDM4EHTTLMNAMEN1

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-2024054956-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 — — WO disclosed
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