SCHEMBL8472240

SCHEMBL8472240

O=C(NCCCN1CCCC1=O)c1[nH]c2ccccc2c1C(c1ccccc1)c1ccc(OCCC2CCCN2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
RCE1 Q9Y256 1/20 0.40
POLB P06746 2/20 0.39
APOBEC3A P31941 1/20 0.39
CASP6 P55212 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL8472242 0.88 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ALMNAMEN1RCE1
SCHEMBL8471948 0.85 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ALMNAMEN1RCE1
SCHEMBL8475771 0.85 SMN1; SMN2 (0.41) SMN1; SMN2KMT2ALMNARCE1POLB
SCHEMBL8472669 0.85 GPR88 (0.43) SMN1; SMN2KMT2AMEN1POLBAPOBEC3A
SCHEMBL8472656 0.82 MEN1 (0.56) KMT2AMEN1POLBAPOBEC3ACASP6
SCHEMBL8472465 0.82 MEN1 (0.45) KMT2AMEN1POLBAPOBEC3ACASP6
SCHEMBL8472278 0.81 POLB (0.43) SMN1; SMN2KMT2ALMNAMEN1POLB
SCHEMBL8472339 0.79 SMN1; SMN2 (0.40) SMN1; SMN2KMT2ALMNARCE1L3MBTL1
SCHEMBL8476779 0.77 MEN1 (0.40) KMT2AMEN1POLBAPOBEC3ACASP6
SCHEMBL8472570 0.77 MEN1 (0.44) KMT2AMEN1POLBAPOBEC3ACASP6

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