SCHEMBL25622650

SCHEMBL25622650

Cc1ccc2c(c1)c1ccc(-c3ccccc3)cc1n2-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AVPR1A P37288 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NLRP3 Q96P20 1/20 0.38
DHODH Q02127 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
OXTR P30559 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL15040913 0.97 KDM4E (0.46) KDM4EATML3MBTL1AVPR1ABCHE
SCHEMBL17032737 0.94 KDM4E (0.49) KDM4EATML3MBTL1AVPR1ABCHE
SCHEMBL17178972 0.94 KDM4E (0.42) KDM4EATML3MBTL1AVPR1ABCHE
SCHEMBL21037660 0.94 ALDH1A1 (0.42) KDM4EATML3MBTL1AVPR1AALDH1A1
SCHEMBL26717826 0.93 KDM4E (0.47) KDM4EATML3MBTL1AVPR1ABCHE
SCHEMBL26323771 0.92 KDM4E (0.47) KDM4EATML3MBTL1AVPR1ABCHE
SCHEMBL17178968 0.92 KDM4E (0.41) KDM4EATML3MBTL1AVPR1ABCHE
SCHEMBL15504030 0.92 KDM4E (0.41) KDM4EATML3MBTL1AVPR1ABCHE
SCHEMBL18119033 0.92 KDM4E (0.44) KDM4EATML3MBTL1AVPR1ABCHE
SCHEMBL17032735 0.92 KDM4E (0.49) KDM4EATML3MBTL1AVPR1AALDH1A1

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
EP-4198020-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME, AND ELECTRONIC APPARATUS Shaanxi Lighte Optoelectronics Material Co., Ltd. (CN) 2023-06-21 EP disclosed