SCHEMBL4038581

SCHEMBL4038581

COc1cc(C=O)c(-c2cccc(-c3csc(N)n3)c2)c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
RAB9A P51151 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 6/20 0.46
KDM4E B2RXH2 4/20 0.46
LTA4H P09960 3/20 0.43
HPGD P15428 2/20 0.43
HK1 P19367 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
FBP1 P09467 1/20 0.42
POLB P06746 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41

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
SCHEMBL15225838 0.90 ALDH1A1 (0.50) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL4038676 0.85 ALDH1A1 (0.48) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL4043062 0.83 ALDH1A1 (0.58) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL4042311 0.77 RECQL (0.46) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL1683981 0.76 MAPT (0.41) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL11763981 0.75 ERN1 (0.46) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4037099 0.75 MAPT (0.52) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL4038699 0.74 ERN1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL15225994 0.74 PDGFRB (0.41) ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL1683842 0.74 CYP19A1 (0.48) RAB9AMEN1KMT2ANPC1SMN1; SMN2

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
EP-2066632-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE Chong Kun Dang Pharmaceutical Corp. (KR) 2009-06-10 EP disclosed
WO-2008038955-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-04-03 WO disclosed