SCHEMBL7845148

SCHEMBL7845148

S=C(NCCc1ccccn1)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.80
HTT P42858 1/20 0.80
ALDH1A1 P00352 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
LMNA P02545 2/20 0.74
MAPT P10636 4/20 0.73
KDM4E B2RXH2 2/20 0.73
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
KMT2A Q03164 1/20 0.70
GAA P10253 1/20 0.69
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.62
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62

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
SCHEMBL18292385 0.85 LMNA (1.00) SMN1; SMN2HTTALDH1A1NPSR1LMNA
SCHEMBL6951326 0.85 ALDH1A1 (0.74) SMN1; SMN2HTTALDH1A1NPSR1LMNA
SCHEMBL14434237 0.85 MAPT (1.00) SMN1; SMN2HTTALDH1A1NPSR1LMNA
SCHEMBL11190896 0.84 ALDH1A1 (0.78) SMN1; SMN2HTTALDH1A1NPSR1LMNA
SCHEMBL5520981 0.84 SMN1; SMN2 (0.70) SMN1; SMN2HTTALDH1A1NPSR1LMNA
SCHEMBL12049597 0.83 RAB9A (0.69) SMN1; SMN2HTTALDH1A1NPSR1LMNA
SCHEMBL170487 0.82 RAB9A (0.62) SMN1; SMN2HTTALDH1A1NPSR1LMNA
SCHEMBL7844957 0.82 CNR1 (0.80) SMN1; SMN2HTTLMNAMAPTKDM4E
SCHEMBL6213313 0.81 SMN1; SMN2 (0.62) SMN1; SMN2HTTALDH1A1NPSR1LMNA
SCHEMBL159773 0.80 SMN1; SMN2 (0.60) SMN1; SMN2HTTALDH1A1NPSR1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0718300-B1 Carbodiimide derivative NISSHIN SPINNING (JP) 2001-11-21 EP disclosed
US-5789588-A BIOTIN DERIVATIIVES OF CARBODIIMIDE FOR NUCLEIC ACIDS AND PROTEINS NISSHINBO INDUSTRIES, INC. (JP) 1998-08-04 US disclosed
US-5700935-A LABEL FOR INTRODUCING BIOTIN GROUP INTO NUCLEIC ACID NISSHINBO INDUSTRIES, INC. (JP) 1997-12-23 US disclosed
EP-0718300-A1 Carbodiimide derivative NISSHINBO INDUSTRIES, INC. (JP) 1996-06-26 EP disclosed
US-4112100-A INCREASING THE ENDOGENOUS PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-09-05 US disclosed