SCHEMBL29980474

SCHEMBL29980474

O=C(c1ccccc1Br)C1CCCO1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
TNF P01375 1/20 0.43
ATM Q13315 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL24681676 0.85 ALDH1A1 (0.43) GAAKDM4ESMN1; SMN2TDP1HPGD
SCHEMBL21132657 0.85 ALDH1A1 (0.43) GAAKDM4ESMN1; SMN2TDP1HPGD
SCHEMBL21132891 0.85 ALDH1A1 (0.43) GAAKDM4ESMN1; SMN2TDP1HPGD
SCHEMBL29283156 0.81 GAA (0.66) GAAKDM4ESMN1; SMN2TDP1HPGD
SCHEMBL28926370 0.81 GAA (0.42) GAAKDM4ESMN1; SMN2TDP1HPGD
SCHEMBL2227563 0.79 HPGD (0.46) GAAKDM4ESMN1; SMN2TDP1HPGD
SCHEMBL4322056 0.77 KDM4E (0.47) GAAKDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL8543691 0.77 SSTR4 (0.42)
SCHEMBL27351823 0.76 HPGD (0.51) GAATDP1HPGDRAB9AALDH1A1
SCHEMBL27853757 0.76 ALDH1A1 (0.52) GAAKDM4ESMN1; SMN2TDP1HPGD

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-4065575-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Lupin Limited (IN) 2022-10-05 EP disclosed