SCHEMBL28668460

SCHEMBL28668460

CC(c1ccccc1)n1cc(Br)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 12/20 0.51
BRD4 O60885 5/20 0.41
CYP2D6 P10635 1/20 0.41
TRPC5 Q9UL62 1/20 0.38
KLKB1 P03952 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL14857943 0.81 CYP19A1 (0.47) CREBBPALDH1A1
SCHEMBL19531635 0.80 CREBBP (0.52) CREBBPBRD4CYP2D6KLKB1KDM4E
SCHEMBL19531666 0.80 CREBBP (0.52) CREBBPBRD4CYP2D6KLKB1KDM4E
SCHEMBL19538830 0.80 CREBBP (0.52) CREBBPBRD4CYP2D6KLKB1KDM4E
SCHEMBL19531660 0.80 CREBBP (0.52) CREBBPBRD4CYP2D6KLKB1KDM4E
SCHEMBL19538823 0.80 CREBBP (0.52) CREBBPBRD4CYP2D6KLKB1KDM4E
SCHEMBL17680597 0.80 CREBBP (0.52) CREBBPBRD4CYP2D6KLKB1KDM4E
SCHEMBL17503674 0.79 CREBBP (0.51) CREBBPBRD4CYP2D6KLKB1KDM4E
SCHEMBL16095724 0.79 CREBBP (0.51) CREBBPBRD4CYP2D6KLKB1KDM4E
SCHEMBL17503822 0.79 CREBBP (0.51) CREBBPBRD4CYP2D6KLKB1KDM4E

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
CN-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 CN disclosed