SCHEMBL29620077

SCHEMBL29620077

CN1CCN(C(=O)Nc2ccc(Br)cc2F)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.60
LMNA P02545 2/20 0.51
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 2/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
FAAH O00519 1/20 0.47
SHMT2 P34897 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL24381880 1.00 THRB (0.60) THRBLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5470045 0.86 TAS1R3 (0.66) THRBMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL29620026 0.84 RAB9A (0.56) LMNAMAPTALDH1A1KDM4ETAS1R3
SCHEMBL24381897 0.84 RAB9A (0.56) LMNAMAPTALDH1A1KDM4ETAS1R3
SCHEMBL14924439 0.84 PANK3 (0.57) LMNAMAPTSMN1; SMN2ALDH1A1PKM
SCHEMBL17450444 0.83 MAPT (0.50) THRBMAPTSMN1; SMN2ALDH1A1PKM
SCHEMBL29620017 0.83 MAPT (0.71) LMNAMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL24381815 0.83 MAPT (0.71) LMNAMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL20660701 0.83 MAPT (0.71) THRBLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL24382014 0.82 KDM4E (0.47) THRBMAPTSMN1; SMN2ALDH1A1PKM

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-4240741-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS Deutsches Krebsforschungszentrum (DE) 2023-09-13 EP disclosed
WO-2022096361-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-12 WO disclosed