SCHEMBL9233968

SCHEMBL9233968

Cc1ncc([N+](=O)[O-])n1C(C)Sc1nc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.49
▸ MAPT P10636 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ ATM Q13315 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ LMNA P02545 5/20 0.45
▸ HTT P42858 3/20 0.45
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TXN P10599 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
SCHEMBL8413118 0.77 RAB9A (0.44) POLBMAPTALDH1A1ATMSMN1; SMN2
SCHEMBL9232599 0.76 LMNA (0.42) MAPTALDH1A1ATMSMN1; SMN2LMNA
SCHEMBL9229974 0.76 LMNA (0.41) POLBMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9233969 0.75 BRD2 (0.52) POLBMAPTALDH1A1ATMSMN1; SMN2
SCHEMBL9233970 0.71 POLB (0.55) POLBMAPTALDH1A1ATMSMN1; SMN2
SCHEMBL9780860 0.71 MAPK1 (0.50) ALDH1A1ATMSMN1; SMN2LMNA
SCHEMBL11725236 0.69 MMP2 (0.51) POLBMAPTALDH1A1ATMSMN1; SMN2
SCHEMBL12368481 0.68 POLB (1.00) POLBSMN1; SMN2LMNARAB9ANPC1
SCHEMBL13433889 0.68 MAPK1 (0.55) ALDH1A1ATMSMN1; SMN2LMNA
SCHEMBL9232763 0.67 MAPT (0.49) MAPTALDH1A1ATMSMN1; SMN2LMNA

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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