SCHEMBL29826385

SCHEMBL29826385

Brc1ccc2c(c1)sc1c3ccc(Br)cc3sc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.40
▸ MIF P14174 1/20 0.36
▸ METAP2 P50579 1/20 0.34
▸ CYP2A6 P11509 4/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ APP P05067 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33

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
SCHEMBL12925791 1.00 HRH4 (0.40) HRH4MIFMETAP2CYP2A6HSP90AA1
SCHEMBL17037081 0.91 EPM2A (0.38) HRH4MIFCYP2A6HSP90AA1
SCHEMBL17037087 0.89 MAPT (0.46) HRH4NPC1RAB9AALDH1A1MAPT
SCHEMBL17037080 0.88 HRH4 (0.35) HRH4MIF
SCHEMBL17969629 0.86 HRH4 (0.38) HRH4MIFMETAP2CYP2A6HSP90AA1
SCHEMBL14692995 0.84 HRH4 (0.34) HRH4
SCHEMBL205544 0.84 RAB9A (0.41) HRH4MIFMETAP2CYP2A6HSP90AA1
SCHEMBL17037088 0.83 LIMK1 (0.49) NPC1RAB9AALDH1A1MAPTDYRK1A
SCHEMBL18470296 0.82 LIMK1 (0.41) NPC1RAB9AALDH1A1CLK1
SCHEMBL3116520 0.82 HRH4 (0.35) HRH4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087720-B N-type organic semiconductor material based on benzothieno [3,2-b ] benzothiophene and preparation method and application thereof 北京大学深圳研究生院 2022-09-27 — — CN claimed
CN-113889576-B Organic semiconductor substrate 友达光电股份有限公司 2024-06-28 — — CN disclosed
CN-112542545-B Active device 友达光电股份有限公司 2023-06-09 — — CN disclosed
CN-113394342-B Organic semiconductor device 友达光电股份有限公司 2023-05-02 — — CN disclosed
CN-113087720-B N-type organic semiconductor material based on benzothieno [3,2-b ] benzothiophene and preparation method and application thereof 北京大学深圳研究生院 2022-09-27 — — CN disclosed
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