SCHEMBL30813591

SCHEMBL30813591

CC(C)(C)[Si](OCCN1CCN(Cc2ccc(N)cc2C(F)(F)F)CC1)(c1ccccc1)c1ccccc1.[Fe]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.57
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 7/20 0.40
ATM Q13315 3/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 4/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 4/20 0.38
GAA P10253 1/20 0.38
ABL1 P00519 2/20 0.36
BRAF P15056 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL27088052 0.99 NR1H2 (0.58) NR1H2ALDH1A1KDM4EATMPOLB
SCHEMBL22559392 0.85 ALDH1A1 (0.46) NR1H2ALDH1A1KDM4EPOLBTDP1
SCHEMBL23326756 0.84 NR1H2 (0.39) NR1H2ALDH1A1KDM4ETDP1MAPT
SCHEMBL27088102 0.84 KCNJ1 (0.41) NR1H2ALDH1A1KDM4EATMPOLB
SCHEMBL22559469 0.82 NR1H2 (0.37) NR1H2ALDH1A1KDM4ETDP1MAPT
SCHEMBL24192765 0.79 NR1H2 (0.74) NR1H2ALDH1A1KDM4EATMPOLB
SCHEMBL29959234 0.79 NR1H2 (0.74) NR1H2ALDH1A1KDM4EATMPOLB
SCHEMBL24565974 0.77 NR1H2 (0.61) NR1H2ALDH1A1KDM4EATMPOLB
SCHEMBL24192763 0.76 NR1H2 (0.70) NR1H2ALDH1A1KDM4EATMPOLB
SCHEMBL15688199 0.75 NR1H2 (0.80) NR1H2ALDH1A1KDM4EATMPOLB

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-2024059200-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-03-21 WO disclosed