SCHEMBL6428301

SCHEMBL6428301

CCCCNC(C)c1ccnc(CCl)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.35
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ALOX12 P18054 1/20 0.33
ALDH1A1 P00352 5/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
MGLL Q99685 1/20 0.33
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HCAR3 P49019 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6428300 0.76 MEN1 (0.31) MAPTLMNAKMT2AHTTMEN1
SCHEMBL6428299 0.75 MAPT (0.36) MAPTHDAC3HDAC1HDAC2ALOX12
SCHEMBL6403184 0.69 HCAR3 (0.40) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL6428293 0.68 MAPT (0.38) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL8568162 0.66 MEN1 (0.38) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL30733379 0.63 LMNA (0.40) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL8597378 0.61 MEN1 (0.41) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL21159495 0.60 CHRM2 (0.39) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL11044330 0.60 ADRB2 (0.46) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL9784672 0.60 TDP1 (0.46) MAPTALDH1A1LMNAKDM4EKMT2A

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-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed