SCHEMBL28818987

SCHEMBL28818987

CCn1cc(Br)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 2/20 0.46
BRCA1 P38398 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP19A1 P11511 1/20 0.45
TBXAS1 P24557 1/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.44
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CA12 O43570 2/20 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
SCHEMBL15704178 0.79 LMNA (0.42) NR4A2KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2580693 0.79 EGFR (0.51) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL10396791 0.78 NR4A2 (0.51) NR4A2MEN1KMT2AMAPTBRCA1
SCHEMBL665932 0.78 MEN1 (0.56) NR4A2MEN1KMT2AMAPTBRCA1
SCHEMBL15330109 0.77 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL19869861 0.77 BRD4 (0.54) NR4A2MEN1KMT2AMAPTALDH1A1
SCHEMBL28018754 0.77 KMT2A (0.58) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3262677 0.76 NR4A2 (0.54) NR4A2MEN1KMT2AMAPTBRCA1
SCHEMBL18683661 0.76 GPR84 (0.60) NR4A2MEN1KMT2AMAPTBRCA1
SCHEMBL3621031 0.76 NR4A2 (0.50) NR4A2MEN1KMT2AMAPTBRCA1

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-104725296-A Indole derivative and application thereof to organic electroluminescence BEIJING ETERNAL MATERIAL TECHNOLOGY CO LTD 2015-06-24 CN disclosed