SCHEMBL7954864

SCHEMBL7954864

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
P2RX7 Q99572 3/20 0.40
CYP11B1 P15538 1/20 0.40
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL7946402 0.91 KMT2A (0.43) CYP11B2KMT2AMEN1P2RX7AVPR2
SCHEMBL895772 0.89 MKNK1 (0.41) CYP11B2KMT2AMEN1P2RX7AVPR2
SCHEMBL7955055 0.89 KMT2A (0.55) CYP11B2KMT2AMEN1P2RX7CYP11B1
SCHEMBL7953699 0.87 KMT2A (0.41) CYP11B2KMT2AMEN1CYP11B1AVPR2
SCHEMBL7946379 0.86 CYP11B2 (0.42) CYP11B2KMT2AMEN1P2RX7ALDH1A1
SCHEMBL7946425 0.81 KDM4E (0.49) CYP11B2KMT2AMEN1CYP11B1AVPR2
SCHEMBL7953701 0.80 CYP11B2 (0.42) CYP11B2KMT2AMEN1CYP11B1AVPR2
SCHEMBL7967732 0.80 CYP11B2 (0.39) CYP11B2P2RX7CYP11B1CYP2C9CYP3A4
SCHEMBL7954992 0.79 CYP11B2 (0.41) CYP11B2P2RX7CYP11B1CYP2C9CYP3A4
SCHEMBL7954909 0.79 MKNK1 (0.41) CYP11B2KMT2AMEN1AVPR2OXTR

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