SCHEMBL10707635

SCHEMBL10707635

Cc1cccc(COCCC#N)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 3/20 0.43
HPGD P15428 4/20 0.40
POLB P06746 2/20 0.40
BMP1 P13497 2/20 0.36
KAT2B Q92831 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 1/20 0.32

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
SCHEMBL6658253 0.83 ALDH1A1 (0.53) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL6653342 0.81 TDP1 (0.50) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL6653894 0.80 ALDH1A1 (0.56) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL6653015 0.80 ALDH1A1 (0.49) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL8838485 0.80 ALDH1A1 (0.49) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL6653987 0.78 ALDH1A1 (0.47) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL6104259 0.78 ALDH1A1 (0.58) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL6655757 0.76 ALDH1A1 (0.60) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL10907730 0.76 ALDH1A1 (0.51) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL8838776 0.75 ALDH1A1 (0.44) ALDH1A1TDP1TSHRHPGDPOLB

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-0144695-B1 IMMUNOGENS, ANTIBODIES, LABELED CONJUGATES, AND RELATED DERIVATIVES FOR LIDOCAINE AND ANALOGS THEREOF MILES INC. (US) 1988-06-01 EP disclosed
US-4650771-A IMMONOASSAY MILES LABORATORIES, INC. (US) 1987-03-17 US disclosed
EP-0144695-A1 Immunogens, antibodies, labeled conjugates, and related derivatives for lidocaine and analogs thereof MILES INC. (US) 1985-06-19 EP disclosed