SCHEMBL15533406

SCHEMBL15533406

O=C(c1cc2ccccc2[nH]1)N1CCCC1Br

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.62
HRH4 Q9H3N8 5/20 0.54
HRH3 Q9Y5N1 1/20 0.54
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
FLT3 P36888 1/20 0.49
RBP4 P02753 1/20 0.48

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
SCHEMBL13753537 0.84 AKR1C3 (0.62) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL15064997 0.84 AKR1C3 (0.62) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL24235367 0.83 AKR1C3 (0.61) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL13201971 0.82 AKR1C3 (0.63) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL30310614 0.82 AKR1C3 (0.60) AKR1C3HRH4HRH3POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL6823552 0.80 AKR1C3 (0.57) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL30402971 0.79 AKR1C3 (0.65) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL11981489 0.77 AKR1C3 (1.00) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL2350768 0.76 HRH4 (0.78) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL29944207 0.75 HRH4 (0.76) AKR1C3HRH4HRH3POLBSMN1; SMN2

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-2013175281-A1 USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BROMODOMAIN AND EXTRA TERMINAL DOMAIN (BET) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-11-28 WO disclosed