SCHEMBL24345589

SCHEMBL24345589

OCCCOc1ccc(Br)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
ALDH1A1 P00352 5/20 0.57
LMNA P02545 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 1/20 0.53
RECQL P46063 1/20 0.52
POLB P06746 1/20 0.52
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
TSHR P16473 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL29457599 1.00 KDM4E (0.57) KDM4EALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL3201532 0.91 KDM4E (0.55) KDM4EALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL16981203 0.86 ALDH1A1 (0.50) KDM4EALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL10458204 0.84 KDM4E (0.52) KDM4EALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL18704576 0.82 KDM4E (0.57) KDM4EALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL2617363 0.81 KDM4E (0.55) KDM4EALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL8794130 0.81 TP53 (0.64) ALDH1A1LMNATDP1SMN1; SMN2HPGD
SCHEMBL2000918 0.81 KDM4E (0.54) KDM4EALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL11443005 0.81 MAPK1 (0.52) KDM4EALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL11649440 0.80 CSNK2A1 (0.60) KDM4EALDH1A1LMNATDP1SMN1; SMN2

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-3981773-A1 DYNAMIC KINETIC RESOLUTION OF ALCOHOLS BY ENANTIOSELECTIVE SILYLATION Technische Universität Berlin (DE) 2022-04-13 EP disclosed
EP-3981773-A1 DYNAMIC KINETIC RESOLUTION OF ALCOHOLS BY ENANTIOSELECTIVE SILYLATION Technische Universität Berlin (DE) 2022-04-13 EP disclosed