SCHEMBL27818801

SCHEMBL27818801

NCc1ccc(P)cc1.c1ccc(B(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 5/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.48
▸ F11 P03951 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ABAT P80404 1/20 0.37
▸ F10 P00742 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ TPSAB1 Q15661 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TRPM2 O94759 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL16472531 0.80 — —
Naphthalene SCHEMBL28166813 0.79 LOXL2 (0.52) LOXL2TAAR1HRH3MAOBABAT
Hydrochloric Acid SCHEMBL28110057 0.78 HRH3 (0.55) LOXL2TAAR1F11HRH3MAOB
Bromide SCHEMBL27738733 0.78 HRH3 (0.55) LOXL2TAAR1F11HRH3ABAT
SCHEMBL27597947 0.78 HRH3 (0.55) LOXL2TAAR1F11HRH3ABAT
Water SCHEMBL28264730 0.78 HRH3 (0.55) LOXL2TAAR1F11HRH3ABAT
Hydrochloric Acid SCHEMBL27525172 0.78 HRH3 (0.55) LOXL2TAAR1F11HRH3MAOB
Ethylenediamine SCHEMBL7559944 0.73 KDM4E (0.56) LOXL2TAAR1KIF11CYP1A2TSHR
SCHEMBL27877099 0.72 ACHE (0.43) TSHRCYP2C19MEN1HPGDALOX12
Benzene SCHEMBL734439 0.72 LOXL2 (0.80) LOXL2TAAR1F11HRH3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102143987-B Heat-cured epoxy resin composition YOKOHAMA RUBBER CO LTD 2013-08-21 — — CN disclosed
CN-102227457-B One-pack type thermosetting epoxy resin composition YOKOHAMA RUBBER CO LTD 2012-10-31 — — CN disclosed
CN-102227457-A Curing accelerator for epoxy resin composition and one-pack type thermosetting epoxy resin composition YOKOHAMA RUBBER CO LTD 2011-10-26 — — CN disclosed
CN-102143987-A Heat-cured epoxy resin composition YOKOHAMA RUBBER CO LTD 2011-08-03 — — CN disclosed
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