SCHEMBL15225838

SCHEMBL15225838

COc1cc(C=O)c(-c2ccc(-c3csc(N)n3)cc2)c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
LTA4H P09960 9/20 0.48
ALOX5 P09917 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43

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
SCHEMBL4038581 0.90 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4038676 0.88 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4043062 0.86 ALDH1A1 (0.58) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1683981 0.81 MAPT (0.41) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4042311 0.79 RECQL (0.46) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4037099 0.77 MAPT (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1683842 0.76 CYP19A1 (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL2547764 0.76 MAPT (0.39) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4033843 0.75 PRKDC (0.47) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4041257 0.75 MAPT (0.46) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1

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-2066632-B1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARM CORP (KR) 2013-09-04 EP disclosed