SCHEMBL8934587

SCHEMBL8934587

Cc1ccn2cc(COc3ccc([N+](=O)[O-])cc3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 7/20 0.51
RAB9A P51151 6/20 0.51
MAPT P10636 5/20 0.51
ALDH1A1 P00352 5/20 0.51
NPC1 O15118 5/20 0.51
PKM P14618 4/20 0.51
KDM4E B2RXH2 8/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYP19A1 P11511 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL8934620 0.80 NPC1 (0.70) SMN1; SMN2RAB9AMAPTALDH1A1NPC1
SCHEMBL24066037 0.72 KDM4E (0.59) SMN1; SMN2RAB9AMAPTALDH1A1NPC1
SCHEMBL9375682 0.71 MAPT (0.53) LMNASMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL9570185 0.71 KDM4E (0.68) SMN1; SMN2RAB9AMAPTALDH1A1NPC1
SCHEMBL1818150 0.71 LMNA (0.60) LMNASMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL8934514 0.70 KMT2A (0.46) LMNASMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL12329335 0.69 KDM4E (0.65) SMN1; SMN2RAB9AMAPTALDH1A1NPC1
SCHEMBL4000661 0.69 LMNA (0.61) LMNASMN1; SMN2RAB9AMAPTNPC1
SCHEMBL4000484 0.69 LMNA (0.57) LMNARAB9AMAPTNPC1CYP19A1
SCHEMBL30354914 0.68 LMNA (0.60) LMNARAB9AMAPTCYP19A1HTT

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
WO-1996030350-A1 AMIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO disclosed