SCHEMBL8600310

SCHEMBL8600310

Cc1cccc(Cl)c1NC(=O)c1c(C)ccc2c1nc(C(F)(F)F)n2C(=O)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.40
PIK3C2B O00750 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
DHODH Q02127 2/20 0.38
RAB9A P51151 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
RORC P51449 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
SCHEMBL8602077 0.90 ALDH1A1 (0.39) ALDH1A1TSHRRORC
SCHEMBL8602830 0.83 TSHR (0.46) ALDH1A1TSHRDHODHRAB9A
SCHEMBL8600301 0.75 PIK3C2B (0.46) LCKPIK3C2BDHODHRAB9A
SCHEMBL8670588 0.74 RORC (0.35) PIK3C2BRORC
SCHEMBL8601990 0.73 KMT2A (0.40) RAB9APDK1PDK2PDK3PDK4
Hydrochloric Acid SCHEMBL8599168 0.70 SLC11A2 (0.38) LCK
SCHEMBL8668207 0.68 IRAK4 (0.45) PIK3C2BALDH1A1RAB9A
SCHEMBL8602071 0.68 MAPT (0.46) ALDH1A1
SCHEMBL8601368 0.68 MAPT (0.46) PIK3C2BALDH1A1TSHR
SCHEMBL8599739 0.67 KMT2A (0.41) PIK3C2BALDH1A1NPSR1TSHR

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
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed