SCHEMBL7971573

SCHEMBL7971573

CC(C)Oc1ccc(NC(=N)c2cccs2)cc1CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
QRFPR Q96P65 2/20 0.42
MEN1 O00255 6/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 10/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
THRB P10828 1/20 0.39
RORC P51449 1/20 0.38
CASP3 P42574 1/20 0.38
CASP2 P42575 1/20 0.38
POLB P06746 2/20 0.38

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 SCHEMBL7565732 0.99 KMT2A (0.43) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
SCHEMBL7562379 0.90 KMT2A (0.44) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7562377 0.88 KMT2A (0.39) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
SCHEMBL7570363 0.88 KMT2A (0.43) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
SCHEMBL7570769 0.87 QRFPR (0.43) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7563160 0.86 KMT2A (0.51) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7568742 0.86 QRFPR (0.43) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
SCHEMBL7570044 0.83 ALDH1A1 (0.50) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
SCHEMBL7598787 0.83 KMT2A (0.39) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
SCHEMBL7973644 0.82 ATM (0.44) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2

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