SCHEMBL28039620

SCHEMBL28039620

Cc1cccc(C2=CCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
NISCH Q9Y2I1 2/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
IDO1 P14902 1/20 0.39
METAP2 P50579 1/20 0.39
HTR7 P34969 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 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
SCHEMBL20567911 0.86 CHRNB4 (0.46) ACHECHRNB4CHRNA3NISCHRAB9A
SCHEMBL19910204 0.84 CHRNB4 (0.49) ACHECHRNB4CHRNA3NISCHRAB9A
SCHEMBL7529658 0.83 CHRNB4 (0.47) ACHECHRNB4CHRNA3NISCHRAB9A
SCHEMBL7529671 0.83 CHRNB4 (0.47) ACHECHRNB4CHRNA3NISCHRAB9A
SCHEMBL10830517 0.82 TSHR (0.39) ACHECHRNB4CHRNA3NISCHRAB9A
SCHEMBL15804315 0.80 HTR7 (0.48) CHRNB4CHRNA3NISCHPARP10PARP11
SCHEMBL30431801 0.77 HTR2C (0.66) HTR7
SCHEMBL8264178 0.77 QDPR (0.59)
SCHEMBL16543132 0.77 L3MBTL1 (0.42) ACHECHRNB4CHRNA3NISCHPARP10
SCHEMBL1365489 0.77 CHRNB4 (0.46) ACHECHRNB4CHRNA3NISCHRAB9A

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
CN-113644549-B Electric pump laser and preparation method thereof 中国科学院半导体研究所 2023-10-13 CN disclosed
CN-113644549-A Electric pump laser and preparation method thereof 中国科学院半导体研究所 2021-11-12 CN disclosed
CN-105006466-A Novel silicon via hole structure improving transmission performance UNIV SHANXI 2015-10-28 CN disclosed