SCHEMBL9775899

SCHEMBL9775899

Cc1cc2ccccc2n1CCCCCCCCN1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.57
HRH3 Q9Y5N1 4/20 0.48
KDM4E B2RXH2 4/20 0.48
TP53 P04637 2/20 0.48
ABCB1 P08183 1/20 0.47
TSHR P16473 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL9776025 1.00 FPR3 (0.57) FPR3HRH3KDM4ETP53ABCB1
SCHEMBL9775976 0.98 FPR3 (0.58) FPR3HRH3KDM4ETP53ABCB1
SCHEMBL9776162 0.87 ABCB1 (0.51) FPR3ABCB1MEN1KMT2AALDH1A1
SCHEMBL13783297 0.83 ABCB1 (0.52) FPR3KDM4ETP53ABCB1MEN1
SCHEMBL11153101 0.81 MEN1 (0.56) KDM4ETP53TSHRMEN1KMT2A
SCHEMBL10412457 0.81 MEN1 (0.56) KDM4ETP53TSHRMEN1KMT2A
SCHEMBL11607968 0.81 MEN1 (0.56) KDM4ETP53TSHRMEN1KMT2A
SCHEMBL4212491 0.81 MEN1 (0.56) KDM4ETP53TSHRMEN1KMT2A
SCHEMBL11605849 0.81 MEN1 (0.56) KDM4ETP53TSHRMEN1KMT2A
SCHEMBL10413247 0.81 MEN1 (0.56) KDM4ETP53TSHRMEN1KMT2A

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
US-5023254-A Administering antiestrogens SCHERING AKTIENGESELLSCHAFT (DE) 1991-06-11 US disclosed