SCHEMBL8475776

SCHEMBL8475776

CC(Oc1ccc(C(c2ccccc2)c2c(C(=O)NCCCN3CCCC3=O)n(C(C)C3CCCN3)c3ccccc23)cc1)C1CCCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.42
KDM4E B2RXH2 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 5/20 0.40
HPGD P15428 4/20 0.40
MAPK1 P28482 3/20 0.40
CREBBP Q92793 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TYRO3 Q06418 2/20 0.39
RAB9A P51151 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL8472347 0.91 SMN1; SMN2 (0.41) RCE1KDM4ESMN1; SMN2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8474668 0.91 KDM4E (0.42) RCE1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL8477355 0.87 GPR88 (0.38) ALDH1A1LMNATSHR
SCHEMBL8473415 0.84 GPR88 (0.41) ALDH1A1LMNATSHR
SCHEMBL8472274 0.82 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HPGDLMNARAB9A
SCHEMBL8477091 0.81 GPR88 (0.39) ALDH1A1HSD17B10HPGDMAPK1LMNA
SCHEMBL8472210 0.80 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL8471936 0.79 GPR88 (0.36)
SCHEMBL8474565 0.79 SLC6A3 (0.42) SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL8475953 0.79 KDM4E (0.44) KDM4EKMT2AALDH1A1HSD17B10HPGD

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
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0782989-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed