SCHEMBL9682915

SCHEMBL9682915

CCC(CCNC(=O)O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
POLB P06746 1/20 0.41
ITGA4 P13612 1/20 0.41

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
SCHEMBL18071831 0.80 LOXL2 (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL17848998 0.78 TMEM97 (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1695076 0.75 SMN1; SMN2 (0.66) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20257166 0.75 KCNH2 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3353131 0.75 MEN1 (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16722430 0.73 MMP2 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4801300 0.73 ALDH1A1 (0.60) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1521016 0.72 PTPRF (0.57) MEN1KMT2ASMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL25955581 0.72 LOXL2 (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10621456 0.70 LMNA (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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
EP-0509795-A2 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1992-10-21 EP disclosed
US-5118678-A Antibody inhibitors, antiinflammatory agents, fungicides, antitumor agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-02 US disclosed