SCHEMBL27996979

SCHEMBL27996979

[CH2]c1ccc(Cl)c(NN)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.33
▸ POLB P06746 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TSHR P16473 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ TP53 P04637 1/20 0.30

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
SCHEMBL1132624 0.76 IDO1 (0.57) MAPTALDH1A1CA1CA2CA9
SCHEMBL29710420 0.76 IDO1 (0.57) MAPTALDH1A1CA1CA2CA9
Hydrochloric Acid SCHEMBL967050 0.74 IDO1 (0.55) MAPTALDH1A1CA1CA2CA9
Bromide SCHEMBL20984360 0.74 IDO1 (0.55) MAPTALDH1A1IDO1KDM4EPOLB
Hydrochloric Acid SCHEMBL29502114 0.74 IDO1 (0.55) MAPTALDH1A1CA1CA2CA9
SCHEMBL3231268 0.73 ALDH1A1 (0.50) MAPTALDH1A1CA1CA2CA9
SCHEMBL17830372 0.73 ALDH1A1 (0.50) MAPTALDH1A1CA1CA2CA9
SCHEMBL8030121 0.73 MAPT (0.50) MAPTALDH1A1CA1CA2CA9
SCHEMBL16284442 0.73 MAPT (0.55) MAPTALDH1A1CA1CA2CA9
SCHEMBL27554865 0.72 MEN1 (0.32) MAPTALDH1A1POLBMEN1KMT2A

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
CN-104487433-A Triazolone compounds as mpges-1 inhibitors GLENMARK PHARMACEUTICALS SA 2015-04-01 — — CN disclosed
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