SCHEMBL9833682

SCHEMBL9833682

CCOc1ccnc(C)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOA P21397 1/20 0.44
SYK P43405 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37

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
SCHEMBL9834352 0.85 MAOA (0.42) SMN1; SMN2MAOAMEN1KMT2ATUBB4A
SCHEMBL3979208 0.84 MAOA (0.50) SMN1; SMN2MAOASYKCA12CA1
Hydrochloric Acid SCHEMBL28215751 0.82 MAOA (0.53) SMN1; SMN2MAOACA12CA1CA2
Hydrochloric Acid SCHEMBL8708948 0.80 MAOA (0.52) MAOAGAAALDH1A1
SCHEMBL4376433 0.79 HPGD (0.44) HPGDSMN1; SMN2SYKMEN1KMT2A
SCHEMBL9835970 0.79 CYP17A1 (0.40) HPGDMAOAMEN1KMT2AL3MBTL1
SCHEMBL27863553 0.78 SMN1; SMN2 (0.43) HPGDSMN1; SMN2SYKMEN1KMT2A
SCHEMBL16727177 0.78 HPGD (0.50) HPGDSMN1; SMN2MEN1KMT2ACA12
SCHEMBL4688192 0.78 L3MBTL1 (0.50) SMN1; SMN2MAOAL3MBTL1MAPTALDH1A1
SCHEMBL9834103 0.77 SMN1; SMN2 (0.46) HPGDSMN1; SMN2SYKMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0208452-B1 PYRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-09-18 EP disclosed
US-4738975-A Pyridine derivatives, and use as anti-ulcer agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-19 US disclosed
EP-0208452-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-01-14 EP disclosed