SCHEMBL25673155

SCHEMBL25673155

COc1cc(-c2cc(C)[nH]n2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 4/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.48
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL16539175 0.78 KDM4E (0.48) L3MBTL1KDM4EPOLBTSHRHSD17B10
SCHEMBL16627207 0.76 NPC1 (0.53) L3MBTL1KDM4EPOLBALDH1A1NPC1
SCHEMBL25196067 0.76 ALPL (0.62) HSD17B10ALDH1A1MEN1KMT2AHDAC3
SCHEMBL17279784 0.76 RAB9A (0.62) KDM4EPOLBLMNAALDH1A1NPC1
SCHEMBL15425080 0.76 MAPT (0.58) KDM4EPOLBALDH1A1NPC1RAB9A
SCHEMBL13140980 0.76 MAPT (0.50) KDM4EPOLBLMNAALDH1A1NPC1
SCHEMBL11005422 0.75 PDE4A (0.72) KDM4EPOLBTSHRLMNAHSD17B10
SCHEMBL15425084 0.74 APP (0.46) KDM4EPOLBTSHRHSD17B10ALDH1A1
SCHEMBL15425101 0.74 MAPT (0.48) KDM4EPOLBTSHRHSD17B10ALDH1A1
SCHEMBL25196239 0.74 MAPT (0.67) L3MBTL1POLBLMNAHSD17B10ALDH1A1

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
WO-2023089632-A1 PYRAZOLE AMIDE BASED COMPOUNDS AND USES AGAINST BREAST CANCER THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2023-05-25 WO disclosed