SCHEMBL28079270

SCHEMBL28079270

O=CNc1nn(-c2cc(Cl)ncn2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC34A1 Q06495 14/20 0.42
▸ LCK P06239 2/20 0.35
▸ RORC P51449 2/20 0.34
▸ INSR P06213 1/20 0.31
▸ LYN P07948 1/20 0.31
▸ HCK P08631 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ MAPT P10636 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
SCHEMBL20074787 0.76 SLC34A1 (0.54) SLC34A1LCK
SCHEMBL16517332 0.74 RORC (0.51) SLC34A1RORCMAPT
SCHEMBL16517539 0.73 SCN9A (0.49) RORC
SCHEMBL28079257 0.69 MPO (0.43) RORC
SCHEMBL3846775 0.64 HSP90AA1 (0.49) MAPT
SCHEMBL20074751 0.63 SLC34A1 (0.50) SLC34A1LCK
SCHEMBL20074851 0.62 SLC34A1 (0.51) SLC34A1
SCHEMBL21177924 0.61 NPSR1 (0.48) SLC34A1MAPT
SCHEMBL24740066 0.61 KMT2A (0.44) —
SCHEMBL28051978 0.61 EGFR (0.56) MAPT

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-105658640-A Alkynyl alcohols and methods of use 豪夫迈·罗氏有限公司 2016-06-08 — — CN disclosed
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