SCHEMBL8614872

SCHEMBL8614872

O=C(NCCCSc1ccccn1)c1cnccn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ATM Q13315 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.49

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 SCHEMBL8620230 0.99 KMT2A (0.56) KMT2AKDM4ELMNAHPGDSMN1; SMN2
SCHEMBL8617641 0.85 SMN1; SMN2 (0.63) KMT2ALMNASMN1; SMN2NPC1RAB9A
SCHEMBL8616812 0.83 EPHX2 (0.62) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8966762 0.81 KDM4E (0.58) KMT2AKDM4ELMNAHPGDSMN1; SMN2
SCHEMBL8619463 0.81 NPC1 (0.59) LMNASMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL8617471 0.81 NPC1 (0.68) KMT2ALMNAHPGDSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8966297 0.80 KDM4E (0.56) KMT2AKDM4ELMNAHPGDSMN1; SMN2
SCHEMBL8614910 0.78 NPC1 (0.56) KMT2AKDM4ELMNAHPGDSMN1; SMN2
SCHEMBL8618103 0.78 NPC1 (0.56) KMT2AKDM4ELMNAHPGDSMN1; SMN2
SCHEMBL8620355 0.77 SMN1; SMN2 (0.57) KMT2ALMNAHPGDSMN1; SMN2NPC1

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
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed