SCHEMBL7973644

SCHEMBL7973644

N=C(Nc1ccc(Oc2ccccc2)c(CCl)c1)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
KMT2A Q03164 5/20 0.39
QRFPR Q96P65 2/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 2/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
PNLIP P16233 1/20 0.36
POLB P06746 2/20 0.36
P2RX4 Q99571 1/20 0.36
GRM4 Q14833 1/20 0.36
CASP3 P42574 1/20 0.36

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
Hydrochloric Acid SCHEMBL7562887 0.99 ATM (0.43) ATMKMT2AQRFPRMEN1MAPT
SCHEMBL7563123 0.90 ATM (0.44) ATMKMT2AQRFPRMEN1MAPT
SCHEMBL7566508 0.87 SLC6A4 (0.50) ATMKMT2AQRFPRMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7562396 0.86 SLC6A4 (0.49) ATMKMT2AQRFPRMEN1MAPT
SCHEMBL7564238 0.84 ATM (0.40) ATMKMT2AQRFPRMEN1MAPT
SCHEMBL7565818 0.84 ATM (0.40) ATMKMT2AQRFPRMEN1MAPT
Hydrochloric Acid SCHEMBL7563160 0.84 KMT2A (0.51) KMT2AQRFPRMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL7570727 0.83 ATM (0.39) ATMKMT2AQRFPRMEN1MAPT
Hydrochloric Acid SCHEMBL7566307 0.83 ATM (0.39) ATMKMT2AQRFPRMEN1MAPT
SCHEMBL7562365 0.83 ATM (0.39) ATMKMT2AQRFPRMEN1MAPT

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-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO disclosed