SCHEMBL22101302

SCHEMBL22101302

O=c1[nH]c(C(F)F)nc2ccc(Br)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51
TUBB2B Q9BVA1 1/20 0.51
TUBB1 Q9H4B7 1/20 0.51
PIM1 P11309 2/20 0.47

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
SCHEMBL9954318 0.79 TUBB4A (0.52) GAAMAPTNPSR1RXFP1TUBB4A
SCHEMBL27093935 0.77 ALDH1A1 (0.39) ALDH1A1POLBROCK2
SCHEMBL30007553 0.77 ALDH1A1 (0.39) ALDH1A1POLBROCK2
SCHEMBL856487 0.77 ALDH1A1 (0.58) MAPTNPSR1HTTALDH1A1POLB
SCHEMBL3115005 0.76 TYMS (0.72) GAAMAPTNPSR1RXFP1TUBB4A
SCHEMBL29900526 0.76 TYMS (0.72) GAAMAPTNPSR1RXFP1TUBB4A
SCHEMBL3424900 0.76 TUBB4A (0.55) GAAMAPTNPSR1RXFP1TUBB4A
SCHEMBL1396365 0.75 ALDH1A1 (0.62) GAAMAPTNPSR1RXFP1TUBB4A
SCHEMBL22101792 0.75 PIM1 (0.38) MAPTRXFP1PIM1PIM3HTT
SCHEMBL10313788 0.73 ALDH1A1 (0.58) HTTCSNK2A1ALDH1A1POLB

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
EP-3666772-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-06-17 EP disclosed