SCHEMBL25324587

SCHEMBL25324587

CC(C)(Cc1nc2cc(Br)ccc2s1)NC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.51
DYRK1A Q13627 1/20 0.49
TRPV1 Q8NER1 5/20 0.48
AKR1B1 P15121 3/20 0.43
HDAC6 Q9UBN7 4/20 0.42
ADORA1 P30542 1/20 0.42
AKR1A1 P14550 1/20 0.42
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40

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
SCHEMBL25913668 0.86 DYRK1A (0.45) PPARADYRK1ATRPV1AKR1B1HDAC6
SCHEMBL30515073 0.86 DYRK1A (0.45) PPARADYRK1ATRPV1AKR1B1HDAC6
SCHEMBL25321539 0.82 DYRK1A (0.42) PPARADYRK1ATRPV1AKR1B1HDAC6
SCHEMBL20509420 0.80 DYRK1A (0.51) PPARADYRK1ATRPV1AKR1B1HDAC6
SCHEMBL25322263 0.78 PPARA (0.47) PPARADYRK1ATRPV1AKR1B1HDAC6
SCHEMBL25323599 0.75 PPARA (0.44) PPARADYRK1ATRPV1AKR1B1HDAC6
SCHEMBL4006075 0.74 DYRK1A (0.60) PPARADYRK1ATRPV1AKR1B1HDAC6
SCHEMBL2945307 0.73 HDAC6 (0.70) PPARADYRK1ATRPV1AKR1B1HDAC6
SCHEMBL20509355 0.73 DYRK1A (0.48) PPARADYRK1ATRPV1AKR1B1HDAC6
SCHEMBL30466621 0.73 DYRK1A (0.48) PPARADYRK1ATRPV1AKR1B1HDAC6

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
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146989-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed