SCHEMBL28218657

SCHEMBL28218657

c1cc(CNC2CCCC3CCCCC32)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.44
EPHX1 P07099 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.41
POLB P06746 2/20 0.40
HTT P42858 2/20 0.40
GLA P06280 1/20 0.40
STAT3 P40763 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NAMPT P43490 4/20 0.37
SSTR3 P32745 1/20 0.36
USP2 O75604 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
SCHEMBL18920792 0.85 KDM1A (0.56) KDM1AMAOAMAOBPKMSMN1; SMN2
SCHEMBL11936118 0.78 EPHX1 (0.48) SMN1; SMN2EPHX1GAAALDH1A1POLB
SCHEMBL25992753 0.78 HRH3 (0.63) KDM1AMAOAMAOBPKMSMN1; SMN2
SCHEMBL26620801 0.78 KDM1A (0.49) KDM1AMAOAMAOBPKMSMN1; SMN2
SCHEMBL5863541 0.76 HRH3 (0.67) KDM1AMAOAMAOBPKMSMN1; SMN2
SCHEMBL27010659 0.75 KDM1A (0.47) KDM1AMAOAMAOBPKMSMN1; SMN2
SCHEMBL8812183 0.74 HRH3 (0.64) PKMSMN1; SMN2MAPTEPHX1KDM4E
SCHEMBL26620802 0.74 KDM1A (0.46) KDM1AMAOAMAOBPKMSMN1; SMN2
SCHEMBL662613 0.74 KDM4E (0.59) KDM1AMAOAMAOBPKMSMN1; SMN2
SCHEMBL11941155 0.70 HRH3 (0.39) KDM1ASMN1; SMN2KDM4EGAAALDH1A1

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
CN-108752236-A SHIP1 conditioning agents and relative method 阿奎诺克斯药物(加拿大)公司 2018-11-06 CN disclosed
CN-105026375-B SHIP1 modulators and methods related thereto 阿奎诺克斯药物(加拿大)公司 2018-06-05 CN disclosed