SCHEMBL11420427

SCHEMBL11420427

CCc1ccc(NC(=O)NC)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ PLK1 P53350 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PTGER3 P43115 1/20 0.40
▸ UBE2M P61081 1/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.40

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
SCHEMBL11432617 0.86 HTT (0.48) POLBSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL28420264 0.84 POLB (0.45) POLBSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11133278 0.83 CA1 (0.54) POLBSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL9313406 0.83 POLB (0.56) POLBSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL30827320 0.83 CA1 (0.54) POLBSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11423764 0.83 SMN1; SMN2 (0.48) POLBSMN1; SMN2ALDH1A1RECQLRAB9A
SCHEMBL11419842 0.83 KMT2A (0.51) POLBSMN1; SMN2HTTLMNAMAPT
SCHEMBL11419588 0.82 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1RECQLHTTPLK1
SCHEMBL11315297 0.81 CYP1A2 (0.43) POLBSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL11423498 0.81 PKM (0.51) POLBSMN1; SMN2ALDH1A1RECQLNPC1

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
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