SCHEMBL25834338

SCHEMBL25834338

COc1cc(CN2CCN(C)CC2)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
ALDH1A1 P00352 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.65
POLB P06746 1/20 0.61
CYP2C9 P11712 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TGFBR1 P36897 1/20 0.57
ACVR1 Q04771 1/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
THRB P10828 1/20 0.57
CA9 Q16790 2/20 0.55
CA2 P00918 1/20 0.55
KCNH2 Q12809 1/20 0.53

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
Hydrochloric Acid SCHEMBL10334149 0.91 KDM4E (0.75) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL9832407 0.86 KDM4E (0.81) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL8310001 0.85 KDM4E (0.67) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL16884170 0.84 POLB (0.82) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL11179651 0.83 USP2 (0.69) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL11400309 0.83 SMN1; SMN2 (0.78) KDM4EMEN1KMT2ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL11185330 0.82 USP2 (0.67) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL13204390 0.82 KDM4E (0.63) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL1889066 0.81 KDM4E (0.67) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL8308417 0.81 KDM4E (0.67) KDM4EMEN1KMT2ATDP1ALDH1A1

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-4212525-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Origiant Pharmaceutical Co., Ltd (CN) 2023-07-19 EP disclosed