SCHEMBL11666012

SCHEMBL11666012

O=C(O)C1=CN=C2c3ccccc3C=CN2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.38
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
BCHE P06276 1/20 0.30
POLB P06746 1/20 0.30
PTPRC P08575 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
IDO1 P14902 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
PTPN1 P18031 1/20 0.30
ACHE P22303 1/20 0.30
CES1 P23141 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL11611852 0.88 CFTR (0.34) CFTR
SCHEMBL20483432 0.74 HDAC3 (0.33) CFTRKDM4EMEN1ALDH1A1LMNA
SCHEMBL7868294 0.70 KDM4E (0.36) CFTRKDM4EMEN1ALDH1A1LMNA
SCHEMBL11664211 0.69 CFTR (0.38) CFTR
SCHEMBL10028949 0.67 CFTR (0.32) CFTR
SCHEMBL10375401 0.67 CFTR (0.32) CFTR
SCHEMBL17593187 0.64 SRD5A2 (0.31)
Hydrochloric Acid SCHEMBL17593298 0.63 SRD5A2 (0.31)
SCHEMBL12783277 0.63 PTAFR (0.48)
SCHEMBL5626323 0.63 CFTR (0.33) CFTRMEN1ALDH1A1LMNAMAPT

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-4127720-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-11-28 US disclosed