SCHEMBL11596604

SCHEMBL11596604

O=C(Cl)c1ccc2sc(C(=O)Cl)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC6 Q9UBN7 8/20 0.43
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40

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
SCHEMBL11228986 0.83 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2HDAC6MEN1
SCHEMBL1095490 0.83 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2HDAC6HDAC3
SCHEMBL22479064 0.81 TUBB4A (0.54) NPC1RAB9ATUBB4ATUBBTUBA3C
SCHEMBL24124671 0.81 NPC1 (0.76) NPC1RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL11583452 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2HDAC6HDAC3
SCHEMBL11222774 0.78 DYRK1A (0.58) NPC1RAB9ASMN1; SMN2HSD17B1HSD17B2
SCHEMBL193533 0.77 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2HSD17B1HSD17B2
Hydrochloric Acid SCHEMBL11596610 0.76 RAB9A (0.68) NPC1RAB9ASMN1; SMN2HDAC6HDAC3
SCHEMBL11229253 0.75 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2HDAC6HSD17B1
SCHEMBL11227721 0.74 GAA (0.53) NPC1RAB9ASMN1; SMN2HSD17B1HSD17B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 US disclosed
US-4051123-A Sulfonic-acid-group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1977-09-27 US disclosed