SCHEMBL5262402

SCHEMBL5262402

Cc1ccccc1C(N)=NN

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MYC P01106 1/20 0.38

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
SCHEMBL5262396 1.00 RAB9A (0.47) RAB9ANPC1POLBKMT2AALDH1A1
SCHEMBL23188035 1.00 RAB9A (0.47) RAB9ANPC1POLBKMT2AALDH1A1
SCHEMBL30605712 0.82 L3MBTL1 (0.50) RAB9ANPC1POLBKMT2AALDH1A1
SCHEMBL101690 0.82 L3MBTL1 (0.50) RAB9ANPC1POLBKMT2AALDH1A1
SCHEMBL20099346 0.82 RAB9A (0.47) RAB9ANPC1POLBKMT2AALDH1A1
SCHEMBL101689 0.82 L3MBTL1 (0.50) RAB9ANPC1POLBKMT2AALDH1A1
SCHEMBL12997622 0.82 L3MBTL1 (0.50) RAB9ANPC1POLBKMT2AALDH1A1
SCHEMBL28296397 0.81 CYP2D6 (0.56) RAB9ANPC1POLBKMT2AALDH1A1
Hydrochloric Acid SCHEMBL11770197 0.79 CYP2D6 (0.55) RAB9ANPC1POLBKMT2AALDH1A1
Hydrochloric Acid SCHEMBL11770190 0.79 CYP2D6 (0.55) RAB9ANPC1POLBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781662-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-05-09 EP disclosed
WO-2006018725-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-02-23 WO disclosed