SCHEMBL24565722

SCHEMBL24565722

COC1CCN(C(=O)c2cc(N)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.48
HIF1A Q16665 1/20 0.47
RHOC P08134 3/20 0.46
RHOA P61586 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
USP2 O75604 3/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 2/20 0.42
CYP2C9 P11712 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LRRK2 Q5S007 1/20 0.41
RBP4 P02753 1/20 0.41
HSD11B1 P28845 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL24566548 0.93 RHOA (0.44) MRGPRX4HIF1ARHOCRHOAKDM4E
SCHEMBL24567221 0.93 RHOA (0.44) MRGPRX4HIF1ARHOCRHOAKDM4E
SCHEMBL24566608 0.87 PDK2 (0.46) HIF1ARHOCRHOAKDM4EUSP2
SCHEMBL4280019 0.84 RHOC (0.50) HIF1ARHOCRHOAKDM4EGAA
SCHEMBL4929358 0.81 KDM4E (0.65) HIF1AKDM4EUSP2CYP3A4TSHR
SCHEMBL13243072 0.81 KDM4E (0.70) HIF1AKDM4EUSP2CYP3A4TSHR
SCHEMBL1265003 0.80 HIF1A (0.63) HIF1ARHOCRHOAKDM4EUSP2
SCHEMBL13243068 0.80 RHOA (0.47) MRGPRX4HIF1ARHOCRHOAKDM4E
SCHEMBL13243066 0.80 RHOA (0.47) MRGPRX4HIF1ARHOCRHOAKDM4E
SCHEMBL24567241 0.79 PDK2 (0.50) HIF1ARHOCRHOAKDM4EGAA

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
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed