SCHEMBL30118017

SCHEMBL30118017

O=CC1CCC(c2ccccc2Br)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 2/20 0.41
KDM1A O60341 1/20 0.41
BRD4 O60885 1/20 0.41
HTR2C P28335 6/20 0.38
HTR2B P41595 6/20 0.38
HTR2A P28223 4/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.33
NPC1 O15118 1/20 0.32
RAD52 P43351 1/20 0.32

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
SCHEMBL3659870 0.79 TP53 (0.46) HTR2CHTR2BHTR2AALDH1A1LMNA
SCHEMBL29427088 0.77 KDM1A (0.50) MAP1LC3BKDM1ABRD4HTR2CHTR2B
SCHEMBL10046437 0.77 KDM1A (0.50) MAP1LC3BKDM1ABRD4HTR2CHTR2B
SCHEMBL8036501 0.74 AKR1C3 (0.52) LMNARAB9ANPC1
Formic Acid SCHEMBL27536018 0.71 MAP1LC3B (0.43) MAP1LC3BKDM1ABRD4HTR2CHTR2B
SCHEMBL3048438 0.71 KDM1A (0.43) MAP1LC3BKDM1ABRD4HTR2CHTR2B
Formic Acid SCHEMBL28217657 0.70 MAP1LC3B (0.42) MAP1LC3BKDM1ABRD4HTR2CHTR2B
SCHEMBL28336863 0.70 MAP1LC3B (0.39) MAP1LC3BKDM1ABRD4HTR2CHTR2B
SCHEMBL28217656 0.69 MAP1LC3B (0.41) MAP1LC3BKDM1ABRD4HTR2CHTR2B
SCHEMBL25604023 0.69 KDM1A (0.47) MAP1LC3BKDM1ABRD4HTR2CHTR2B

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-4065230-A1 THERAPEUTIC COMPOUNDS Genentech, Inc. (US) 2022-10-05 EP disclosed