SCHEMBL22780690

SCHEMBL22780690

CC1=CCC(c2cccc(N)c2)C=C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
RET P07949 1/20 0.34
CASP1 P29466 2/20 0.34
CYP3A4 P08684 2/20 0.34
RECQL P46063 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
ADRA2C P18825 1/20 0.30

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
SCHEMBL25819131 0.80 RET (0.37) RET
SCHEMBL27388823 0.79 BRD4 (0.34) RETRECQLMEN1MAPTKMT2A
SCHEMBL24570948 0.74 HTR2C (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL12993104 0.71 CYP3A4 (0.38) PTPN1CASP1CYP3A4RECQLDDB1
SCHEMBL24571071 0.71 CASP1 (0.34) PTPN1CASP1CYP3A4RECQLDDB1
SCHEMBL23472717 0.71 DDB1 (0.40) PTPN1CASP1CYP3A4RECQLDDB1
SCHEMBL14401581 0.71 CHRNB2 (0.42) ALDH1A1MAPTLMNA
SCHEMBL14201547 0.69 RET (0.32) RET
SCHEMBL8639636 0.69 GABRP (0.34) RET
SCHEMBL19027980 0.69 DDB1 (0.38) CASP1CYP3A4RECQLDDB1CRBN

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
EP-3239136-B1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME SOLUS ADVANCED MATERIALS CO LTD (KR) 2023-06-07 EP disclosed
EP-3750899-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-12-16 EP disclosed
EP-3750898-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-12-16 EP disclosed