SCHEMBL9219232

SCHEMBL9219232

O=C(C[CH]c1ccccc1)c1c[nH]cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.35
RAB9A P51151 3/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.33
IP6K1 Q92551 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 3/20 0.31
CYP2A6 P11509 1/20 0.31
HDAC3 O15379 1/20 0.31
TNKS O95271 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 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
SCHEMBL8865190 0.73 KEAP1 (0.47) RAB9ALMNAMAPTNPC1KDM4E
SCHEMBL10958770 0.73 KMT2A (0.53) RAB9AMAPTNPC1KDM4EPKM
SCHEMBL7390350 0.71
SCHEMBL3241469 0.70 MAPT (0.54) PAMRAB9ALMNAMAPTNPC1
Biphenyl SCHEMBL27648104 0.69 KMO (0.44) LMNAKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL5847297 0.69 CYP3A4 (0.34) LMNACYP2D6MAOB
SCHEMBL5752399 0.69
SCHEMBL4483981 0.69
SCHEMBL7361344 0.69
SCHEMBL10352034 0.68 FEN1 (0.42)

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-5470834-A Metalloproteinase enzyme inhibitors for arthritis, rheumatism and cancers FLORIDA STATE UNIVERSITY (US) 1995-11-28 US disclosed