SCHEMBL8845720

SCHEMBL8845720

Oc1ccc([C@H]2[C@@H](c3ccccc3)C2(Cl)Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GLA P06280 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MMP3 P08254 1/20 0.41
BCL2L1 Q07817 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
LMNA P02545 1/20 0.38
LTA4H P09960 1/20 0.37
NR1H2 P55055 1/20 0.37
BAX Q07812 1/20 0.37

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
SCHEMBL8845708 1.00 MEN1 (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL8914128 1.00 MEN1 (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL8914134 1.00 MEN1 (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL8845710 1.00 MEN1 (0.42) MEN1KMT2ACA12CA1CA2
Cyclopropane SCHEMBL8918515 0.94 MEN1 (0.39) MEN1KMT2ACA12CA1CA2
Cyclopropane SCHEMBL8918512 0.94 MEN1 (0.39) MEN1KMT2ACA12CA1CA2
SCHEMBL8914129 0.86 HTR2A (0.41) MEN1KMT2ALMNAHTTCYP1A2
SCHEMBL8845500 0.86 HTR2A (0.41) MEN1KMT2ALMNAHTTCYP1A2
SCHEMBL8845503 0.86 HTR2A (0.41) MEN1KMT2ALMNAHTTCYP1A2
SCHEMBL8914133 0.86 HTR2A (0.41) MEN1KMT2ALMNAHTTCYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663207-A ADMINISTERING TO INHIBIT DEVELOPMENT OF BREAST TUMOR RESEARCH CORPORATION TECHNOLOGIES (US) 1997-09-02 US disclosed
US-5658914-A ANTIESTROGENS, ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES (US) 1997-08-19 US disclosed
US-5658927-A ANTIESTROGENS, ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES (US) 1997-08-19 US disclosed
US-5658951-A ANTIESTROGENS, ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES (US) 1997-08-19 US disclosed
US-5397802-A Gem-dichlorocyclopropanes as antitumor agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-03-14 US disclosed
US-4879315-A Cyclopropyl analogs as anti-estrogenic, anti-tumor and female fertility agents THE BOARD OF REGENTS FOR THE UNIVERSITY OF OKLAHOMA (US) 1989-11-07 US disclosed