SCHEMBL11124045

SCHEMBL11124045

CCCCCC1=NCc2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ GPR3 P46089 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL25919345 0.88 TSHR (0.43) TSHRMEN1KMT2AATMCYP2D6
SCHEMBL29868676 0.77 KDM4E (0.51) MEN1KMT2AATMKCNH2CYP2D6
SCHEMBL7759078 0.77 KDM4E (0.51) MEN1KMT2AATMKCNH2CYP2D6
SCHEMBL4764699 0.76 MEN1 (0.51) MEN1KMT2AATMKCNH2CYP2D6
SCHEMBL27996594 0.76 MEN1 (0.51) MEN1KMT2AATMKCNH2CYP2D6
SCHEMBL11923501 0.75 TSHR (0.50) TSHRKCNH2CYP2D6ALDH1A1CYP1A2
SCHEMBL11922776 0.74 HRH4 (0.41) TSHRMEN1KMT2ACYP2D6CYP1A2
SCHEMBL27577140 0.72 KDM4E (0.53) MEN1KMT2AATMCYP2D6ALDH1A1
SCHEMBL2364518 0.72 GABRA1 (0.54) MEN1KMT2AATMPTPN1LMNA
Fluorene SCHEMBL25291666 0.70 MAOA (0.50) TSHRATMCYP2D6ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4315926-A ANXIOLYTIC AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-16 — — US claimed
US-4434100-A TRANQUILIZING, ANTICONVULSANTS, ANXIOLYTIC CIBA-GEIGY CORPORATION (US) 1984-02-28 — — US disclosed
US-4434100-A TRANQUILIZING, ANTICONVULSANTS, ANXIOLYTIC CIBA-GEIGY CORPORATION (US) 1984-02-28 — — US disclosed
US-4356176-A TRANQUILIZERS, ANTICONVULSANT CIBA-GEIGY CORPORATION (US) 1982-10-26 — — US disclosed
US-4356176-A TRANQUILIZERS, ANTICONVULSANT CIBA-GEIGY CORPORATION (US) 1982-10-26 — — US disclosed
US-4315926-A ANXIOLYTIC AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-16 — — US disclosed
US-4315926-A ANXIOLYTIC AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-16 — — US disclosed
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