SCHEMBL30812271

SCHEMBL30812271

CC(C)(O)c1ccc(OCC(CCCN2CCNCC2)C2CC2)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HTT P42858 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ UTS2R Q9UKP6 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CHRM2 P08172 2/20 0.35
▸ CHRM1 P11229 2/20 0.35

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
SCHEMBL30812291 0.81 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL30812160 0.78 BRD4 (0.46) —
SCHEMBL24083945 0.70 KMT2A (0.56) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL30812085 0.70 PKM (0.40) ALDH1A1LMNAABCB1HRH2HRH1
SCHEMBL30812217 0.70 BRD4 (0.43) ABCB1
SCHEMBL24083869 0.70 KMT2A (0.55) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL24377888 0.70 KMT2A (0.55) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL31246021 0.69 UTS2R (0.35) ALDH1A1MEN1KMT2AALOX15HSD17B10
SCHEMBL31246003 0.69 KDM4E (0.48) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL24083883 0.67 MEN1 (0.59) ALDH1A1MEN1KMT2AKDM4ELMNA

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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