SCHEMBL7957097

SCHEMBL7957097

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.42
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
GAA P10253 1/20 0.37
KMO O15229 1/20 0.37
CHRNA7 P36544 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL7953699 0.89 KMT2A (0.41) KMT2AKDM4EMEN1CYP2C9AVPR2
SCHEMBL7957167 0.89 MKNK1 (0.40) KMT2AMEN1CYP2C9AVPR2OXTR
SCHEMBL7960407 0.86 KMT2A (0.55) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL7946402 0.86 KMT2A (0.43) KMT2AKDM4EMEN1CYP2C9AVPR2
SCHEMBL7946425 0.86 KDM4E (0.49) KMT2AKDM4EMEN1CYP2C9AVPR2
SCHEMBL9710973 0.85 KMT2A (0.60) KMT2AKDM4EMEN1CYP2C9MKNK1
SCHEMBL7954850 0.79 ABCC1 (0.43) KDM4EGAAALDH1A1LMNATSHR
SCHEMBL7954909 0.79 MKNK1 (0.41) KMT2AMEN1CYP2C9AVPR2OXTR
SCHEMBL7954864 0.79 CYP11B2 (0.42) KMT2AKDM4EMEN1CYP2C9AVPR2
SCHEMBL895772 0.78 MKNK1 (0.41) KMT2AMEN1CYP2C9AVPR2OXTR

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