SCHEMBL11428889

SCHEMBL11428889

CCNC(=O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.67
LMNA P02545 4/20 0.67
GAA P10253 1/20 0.67
HTT P42858 1/20 0.61
MAPT P10636 3/20 0.58
RAB9A P51151 3/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 2/20 0.57
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
USP2 O75604 1/20 0.54
HPGD P15428 1/20 0.54
UBE2M P61081 1/20 0.52
DCUN1D1 Q96GG9 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL11428179 0.87 LMNA (0.68) SMN1; SMN2LMNAGAAHTTMAPT
SCHEMBL16363122 0.87 KMT2A (0.62) SMN1; SMN2LMNAGAAHTTMAPT
SCHEMBL11408640 0.85 GAA (0.49) SMN1; SMN2LMNAGAAHTTMAPT
SCHEMBL11428857 0.85 GAA (0.56) SMN1; SMN2LMNAGAAHTTMAPT
SCHEMBL11419541 0.85 SMN1; SMN2 (0.56) SMN1; SMN2GAAMAPTRAB9AKMT2A
SCHEMBL11430785 0.84 KMT2A (0.54) SMN1; SMN2LMNAGAAHTTMAPT
SCHEMBL11419599 0.84 SMN1; SMN2 (0.54) SMN1; SMN2LMNAGAAHTTMAPT
SCHEMBL11420777 0.84 HTT (0.68) SMN1; SMN2LMNAHTTMAPTRAB9A
SCHEMBL11432617 0.84 HTT (0.48) SMN1; SMN2LMNAGAAHTTMAPT
SCHEMBL5471126 0.84 RAB9A (0.65) SMN1; SMN2HTTMAPTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4183956-A Method for treating gastrointestinal spasms, gastrointestinal hyperacidity and hypertensive disorders with amidinoureas WILLIAM H. RORER, INC. (US) 1980-01-15 US disclosed