SCHEMBL11081083

SCHEMBL11081083

CC(C(=O)Cl)(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP1A2 P05177 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
FBP1 P09467 2/20 0.38
ALDH1A1 P00352 6/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 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
SCHEMBL2555569 0.85 MAPT (0.44) KMT2AMAPTCYP2C19HIF1ACYP1A2
SCHEMBL27836710 0.83 MAPT (0.42) KMT2AMAPTCYP2C19HIF1ACYP1A2
SCHEMBL8556527 0.83 MAPT (0.42) KMT2AMAPTCYP2C19HIF1ACYP1A2
SCHEMBL1305452 0.81 MAPT (0.55) KMT2AMAPTCYP2C19HIF1ACYP1A2
SCHEMBL1304857 0.79 HDAC3 (0.44) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL20702221 0.77 CYP1A2 (0.42) KMT2AMAPTCYP2C19HIF1ACYP1A2
SCHEMBL5682426 0.74 CYP2C19 (0.41) KMT2AMAPTCYP2C19HIF1ACYP1A2
SCHEMBL1348352 0.72 MAPT (0.42) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL8860523 0.71 MAPT (0.50) KMT2AMAPTCYP2C19HIF1ACYP1A2
SCHEMBL1170985 0.71 ALDH1A1 (0.42) KMT2AMAPTCYP2C19HIF1AHDAC3

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
US-4442296-A LARVICIDES FMC CORPORATION (US) 1984-04-10 US disclosed
US-4408057-A 4-Heterocyclic-substituted-2-indanyl alcohols and insecticidal ester derivatives FMC CORPORATION (US) 1983-10-04 US disclosed
US-4368205-A 4-Heterocyclic-substituted-2-indanyl alcohols and insecticidal ester derivatives FMC CORPORATION (US) 1983-01-11 US disclosed