SCHEMBL30368386

SCHEMBL30368386

O=[N+]([O-])c1cnc2[nH]c(Cl)cc2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.37
DDO Q99489 1/20 0.37
CHUK O15111 1/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 1/20 0.36
PIN1 Q13526 3/20 0.35
GPR35 Q9HC97 1/20 0.35
TDP1 Q9NUW8 5/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
VCAM1 P19320 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
GRIN2D O15399 1/20 0.33

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
SCHEMBL24165242 1.00 DAO (0.37) DAODDOCHUKTSHRMAPK1
SCHEMBL25475044 0.84 DAO (0.35) DAODDOCHUKTSHRPIN1
SCHEMBL29486783 0.74 PRKCI (0.54) PIN1TDP1ALDH1A1KDM4EMEN1
SCHEMBL1935167 0.74 PRKCI (0.54) PIN1TDP1ALDH1A1KDM4EMEN1
SCHEMBL26326481 0.74 AURKB (0.46)
SCHEMBL2250758 0.68 TSHR (0.47) CHUKTSHRMAPK1ALDH1A1CYP3A4
SCHEMBL29742161 0.68 TSHR (0.47) CHUKTSHRMAPK1VCAM1MAPT
SCHEMBL405386 0.68 TSHR (0.47) CHUKTSHRMAPK1VCAM1MAPT
SCHEMBL202663 0.67 POLB (0.51) TSHRMAPK1PIN1TDP1ALDH1A1
SCHEMBL29381779 0.67 POLB (0.51) TSHRMAPK1PIN1TDP1ALDH1A1

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
EP-4175719-A1 TRICYCLIC UREA COMPOUNDS AS JAK2 V617F INHIBITORS Incyte Corporation (US) 2023-05-10 EP disclosed