SCHEMBL11316628

SCHEMBL11316628

O=C(Nc1ccc(Br)cc1Br)c1cc(Cl)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 5/20 0.66
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
TAS1R2 Q8TE23 1/20 0.59
P2RX1 P51575 6/20 0.57
TMPRSS4 Q9NRS4 8/20 0.56
P2RX4 Q99571 3/20 0.56
P2RX7 Q99572 3/20 0.56
MEN1 O00255 1/20 0.54
AURKA O14965 1/20 0.54
NPC1 O15118 1/20 0.54
PDPK1 O15530 1/20 0.54
JAK2 O60674 1/20 0.54
GMNN O75496 1/20 0.54
ALDH1A1 P00352 1/20 0.54
EGFR P00533 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
LYN P07948 1/20 0.54

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
SCHEMBL16148682 0.89 KCNMA1 (0.66) KCNMA1TAS1R3TAS1R1TAS1R2P2RX1
SCHEMBL11230861 0.83 NPC1 (0.61) KCNMA1TAS1R3TAS1R1TAS1R2P2RX1
SCHEMBL18341191 0.83 TMPRSS4 (0.75) KCNMA1TAS1R3TAS1R1TAS1R2P2RX1
SCHEMBL8053234 0.82 MEN1 (0.78) KCNMA1TAS1R3TAS1R1TAS1R2P2RX1
SCHEMBL11683279 0.81 P2RX1 (0.82) KCNMA1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL17407572 0.81 KMT2A (0.55) KCNMA1TMPRSS4MEN1AURKANPC1
SCHEMBL30771727 0.80 KCNMA1 (0.76) KCNMA1TAS1R3TAS1R1TAS1R2P2RX1
SCHEMBL15026045 0.80 KCNMA1 (0.76) KCNMA1TAS1R3TAS1R1TAS1R2P2RX1
SCHEMBL17295683 0.79 RAB9A (0.60) KCNMA1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL31238369 0.78 TAS1R3 (0.86) KCNMA1TAS1R3TAS1R1TAS1R2P2RX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3956510-A NESTING, CYLINDERS, LOOPS BEALL NELSON J 1976-05-11 US claimed
US-4252785-A LOW MOLECULAR WEIGHT UREA-FORMALDEHYDE RESIN, GERMICIDE HEXCEL CORPORATION (US) 1981-02-24 US disclosed
US-3956510-A NESTING, CYLINDERS, LOOPS BEALL NELSON J 1976-05-11 US disclosed