SCHEMBL9233970

SCHEMBL9233970

Cc1nc(C(C)Sc2nc3ccccc3[nH]2)c([N+](=O)[O-])[nH]1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HTT P42858 3/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ CCR6 P51684 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TXN P10599 1/20 0.44
▸ BCHE P06276 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
SCHEMBL9229979 0.76 CYP1A2 (0.45) POLBSMN1; SMN2MAPTLMNANPC1
SCHEMBL9232603 0.76 LMNA (0.45) POLBSMN1; SMN2MAPTLMNARAB9A
SCHEMBL12368481 0.72 POLB (1.00) POLBSMN1; SMN2LMNARAB9ANPC1
SCHEMBL9233968 0.71 POLB (0.49) POLBSMN1; SMN2MAPTLMNARAB9A
SCHEMBL29888697 0.69 SMN1; SMN2 (0.71) POLBSMN1; SMN2MAPTLMNARAB9A
SCHEMBL10644621 0.69 POLB (0.69) POLBSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL11687997 0.69 POLB (0.63) POLBSMN1; SMN2LMNARAB9ANPC1
SCHEMBL9514715 0.67 POLB (0.71) POLBSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7066256 0.67 TXN (0.55) POLBSMN1; SMN2MAPTLMNARAB9A
SCHEMBL9676986 0.67 POLB (0.60) POLBSMN1; SMN2RAB9ANPC1ALDH1A1

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
EP-0632040-A1 Antibacterial imidazole derivatives Takeda Chemical Industries, Ltd. (JP) 1995-01-04 — — EP disclosed
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