SCHEMBL30970907

SCHEMBL30970907

Cc1ccccc1N=Cc1ccccc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.78
ALDH1A1 P00352 6/20 0.78
KDM4E B2RXH2 5/20 0.78
L3MBTL1 Q9Y468 4/20 0.78
POLB P06746 3/20 0.78
MPI P34949 2/20 0.78
RECQL P46063 1/20 0.78
CA12 O43570 5/20 0.75
CA2 P00918 5/20 0.75
CA9 Q16790 4/20 0.75
ALOX15 P16050 3/20 0.59
PKM P14618 3/20 0.59
THRB P10828 2/20 0.59
CYP2C9 P11712 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
HIF1A Q16665 1/20 0.59

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
SCHEMBL802042 1.00 MAPT (0.78) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL12566830 1.00 MAPT (0.78) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL1947963 1.00 MAPT (0.78) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL3368939 0.98 MAPT (0.76) MAPTALDH1A1KDM4EL3MBTL1POLB
Lithium SCHEMBL3368945 0.98 MAPT (0.76) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL3368936 0.98 MAPT (0.76) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL24440665 0.91 CA12 (0.79) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL3364273 0.88 CA12 (0.68) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL802218 0.88 CA12 (0.68) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL11877164 0.88 CA12 (0.68) MAPTALDH1A1KDM4EL3MBTL1POLB

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
CN-112004598-B Hydrogenation catalyst composition and use thereof for hydrogenating nitrile rubber 阿朗新科德国有限责任公司 2024-07-19 CN claimed
CN-112004598-B Hydrogenation catalyst composition and use thereof for hydrogenating nitrile rubber 阿朗新科德国有限责任公司 2024-07-19 CN disclosed