SCHEMBL21409679

SCHEMBL21409679

Cn1ncc(C(=O)c2ccccc2Cl)c1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.44
RECQL P46063 1/20 0.43
HIF1A Q16665 1/20 0.42
PLAU P00749 1/20 0.41
ELANE P08246 1/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL12528334 0.85 HIF1A (0.44) HIF1APLAUELANEKDM4EPOLB
SCHEMBL949842 0.85 ALDH1A1 (0.47) HIF1AKDM4EPRMT5WDR77KMT2A
SCHEMBL14495185 0.82 SLC6A4 (0.44) HIF1AKDM4EKMT2AALDH1A1HPGD
SCHEMBL10755351 0.81 POLB (0.46) MAPK14RECQLPLAUELANEKDM4E
SCHEMBL950181 0.79 ALDH1A1 (0.53) KDM4EKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL12528354 0.72 JAK2 (0.42) MAPK14POLBKMT2AALDH1A1HPGD
SCHEMBL23087496 0.72 HSD11B1 (0.49) HIF1APOLBPRMT5WDR77KMT2A
SCHEMBL29399311 0.72 CES2 (0.71) MAPK14RECQLPOLBCES2CES1
SCHEMBL50416 0.72 CES2 (0.71) MAPK14RECQLPOLBCES2CES1
SCHEMBL13436495 0.70 HIF1A (0.46) HIF1APOLBPRMT5WDR77KMT2A

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
WO-2019188456-A1 NOVEL ANTI-TUMOR AGENT 学校法人 川崎学園 2019-10-03 WO disclosed