SCHEMBL7946402

SCHEMBL7946402

O=C(O)c1c(Cl)c(-c2cccnc2)n2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.42
RORC P51449 2/20 0.40
CYP2C9 P11712 1/20 0.39
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
CYP11B2 P19099 4/20 0.38
P2RX7 Q99572 1/20 0.38
GAA P10253 1/20 0.37
KMO O15229 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7954864 0.91 CYP11B2 (0.42) KMT2AKDM4EMEN1CYP2C9AVPR2
SCHEMBL895772 0.89 MKNK1 (0.41) KMT2AMEN1CYP2C9AVPR2OXTR
SCHEMBL7955055 0.86 KMT2A (0.55) KMT2AMEN1CYP11B2P2RX7ALDH1A1
SCHEMBL7957097 0.86 KMT2A (0.43) KMT2AKDM4EMEN1CYP2C9AVPR2
SCHEMBL7946379 0.86 CYP11B2 (0.42) KMT2AKDM4EMEN1MKNK1MKNK2
SCHEMBL7946425 0.86 KDM4E (0.49) KMT2AKDM4EMEN1CYP2C9AVPR2
SCHEMBL9710973 0.85 KMT2A (0.60) KMT2AKDM4EMEN1CYP2C9MKNK1
SCHEMBL6658946 0.81 P2RX7 (0.41) KMT2AMEN1CYP2C9MKNK1MKNK2
SCHEMBL7954909 0.79 MKNK1 (0.41) KMT2AMEN1CYP2C9AVPR2OXTR
SCHEMBL8325325 0.78 CYP11B2 (0.39) KDM4ECYP2C9MKNK1MKNK2CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US claimed
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed