SCHEMBL11089239

SCHEMBL11089239

CNC(=O)Oc1c(Br)cc(Br)c2cccnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
RXFP1 Q9HBX9 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
KDM4E B2RXH2 6/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 4/20 0.50
HTT P42858 2/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL18095730 0.81 ALDH1A1 (0.59) ALDH1A1RXFP1NPSR1KDM4EMEN1
SCHEMBL9442885 0.80 ALDH1A1 (0.58) ALDH1A1RXFP1NPSR1KDM4EMEN1
SCHEMBL11082680 0.80 ALDH1A1 (0.50) ALDH1A1RXFP1NPSR1KDM4EMEN1
SCHEMBL11090971 0.78 KDM4E (0.65) ALDH1A1NPSR1KDM4EMEN1KMT2A
SCHEMBL10339532 0.78 ALDH1A1 (0.48) ALDH1A1RXFP1NPSR1KDM4EMEN1
SCHEMBL18106121 0.76 MAPT (0.66) ALDH1A1RXFP1NPSR1KDM4EMEN1
SCHEMBL620812 0.76 KDM4E (0.57) ALDH1A1RXFP1NPSR1KDM4EMEN1
SCHEMBL5451976 0.75 KDM4E (0.54) ALDH1A1RXFP1NPSR1KDM4EMEN1
SCHEMBL18952941 0.74 ALDH1A1 (0.51) ALDH1A1RXFP1NPSR1KDM4EMEN1
SCHEMBL11697805 0.73 NPSR1 (0.47) ALDH1A1RXFP1NPSR1KDM4EMEN1

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
US-4472404-A BACTERICIDES, FUNGICIDES; UROGENITAL DISORDERS THE DOW CHEMICAL COMPANY (US) 1984-09-18 US claimed
US-4472404-A BACTERICIDES, FUNGICIDES; UROGENITAL DISORDERS THE DOW CHEMICAL COMPANY (US) 1984-09-18 US disclosed