SCHEMBL30583137

SCHEMBL30583137

N=C(N)c1cc2ccccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 10/20 0.65
BCL2L1 Q07817 1/20 0.58
SLC9A1 P19634 2/20 0.57
HDAC6 Q9UBN7 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
F10 P00742 6/20 0.54
PLAU P00749 3/20 0.54
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
DYRK1A Q13627 1/20 0.47
CFD P00746 1/20 0.47

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
SCHEMBL563279 1.00 F9 (0.65) F9BCL2L1SLC9A1HDAC6HDAC3
Hydrochloric Acid SCHEMBL9402488 0.98 F9 (0.66) F9BCL2L1SLC9A1HDAC6HDAC3
Hydrochloric Acid SCHEMBL9431252 0.83 F9 (0.70) F9F10
Hydrochloric Acid SCHEMBL9432183 0.83 F9 (0.62) F9HDAC6F10PLAUCFD
SCHEMBL13116539 0.82 BCL2L1 (0.60) F9BCL2L1SLC9A1HDAC6HDAC3
SCHEMBL12820023 0.80 BCL2L1 (0.58) F9BCL2L1SLC9A1HDAC6HDAC3
SCHEMBL29366392 0.80 BCL2L1 (0.69) BCL2L1SLC9A1HDAC6HDAC3HDAC4
SCHEMBL347544 0.80 BCL2L1 (0.69) BCL2L1SLC9A1HDAC6HDAC3HDAC4
SCHEMBL13709460 0.79 F9 (0.77) F9HDAC6F10PLAUCFD
SCHEMBL13709463 0.79 F9 (1.00) F9F10

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-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed