SCHEMBL9675281

SCHEMBL9675281

C=Cn1c(C=O)nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.46
KDM4E B2RXH2 9/20 0.40
ALDH1A1 P00352 7/20 0.39
RAB9A P51151 6/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 5/20 0.39
PKM P14618 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.39
NOS2 P35228 1/20 0.39
HPGD P15428 5/20 0.38
GAA P10253 4/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.37
LMNA P02545 2/20 0.37
CDK5 Q00535 1/20 0.37
PAX8 Q06710 1/20 0.37
CDK5R1 Q15078 1/20 0.37
RCE1 Q9Y256 1/20 0.37
GLA P06280 3/20 0.36

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
SCHEMBL1656174 0.85 KDM4E (0.42) KDM4EALDH1A1RAB9AMAPTNPC1
SCHEMBL28470187 0.78 NOS2 (0.55) KDM4EALDH1A1RAB9AMAPTNPC1
SCHEMBL7191387 0.77 VDR (0.50) VDRKDM4EALDH1A1RAB9AMAPT
SCHEMBL28363149 0.77 SMN1; SMN2 (0.40) KDM4EALDH1A1RAB9AMAPTNPC1
SCHEMBL2082562 0.75 LMNA (0.57) VDRKDM4EALDH1A1RAB9AMAPT
SCHEMBL27968001 0.74 VDR (0.48) VDRKDM4EALDH1A1RAB9AMAPT
SCHEMBL102893 0.74 KDM4E (0.64) KDM4EALDH1A1RAB9AMAPTNPC1
SCHEMBL8382361 0.74 LMNA (0.38) KDM4EALDH1A1RAB9AMAPTNPC1
SCHEMBL2028532 0.74 HTT (0.50) KDM4EALDH1A1RAB9AMAPTNPC1
SCHEMBL9675063 0.74 VDR (0.48) VDRKDM4EALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276942-B1 6-BETA(SUBSTITUTED)-(S)-HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1992-04-01 EP disclosed
US-4782050-A BACTERICIDES PFIZER INC. (US) 1988-11-01 US disclosed
EP-0276942-A1 6-Beta(substituted)-(S)-hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1988-08-03 EP disclosed