SCHEMBL11360982

SCHEMBL11360982

C/N=C(/NC#N)NCCSCCc1nc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ CYP2D6 P10635 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HRH2 P25021 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ SLC22A2 O15244 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ ATP4A P20648 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ ATP4B P51164 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SLC47A2 Q86VL8 1/20 0.47
▸ SLC22A8 Q8TCC7 1/20 0.47
▸ SLC47A1 Q96FL8 1/20 0.47

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
SCHEMBL11361020 1.00 SMN1; SMN2 (0.47) SMN1; SMN2CYP3A4CYP2D6LMNATSHR
SCHEMBL11363619 0.91 SMN1; SMN2 (0.53) SMN1; SMN2CYP3A4CYP2D6LMNATSHR
SCHEMBL11363616 0.91 SMN1; SMN2 (0.53) SMN1; SMN2CYP3A4CYP2D6LMNATSHR
SCHEMBL11354866 0.85 HTT (0.51) SMN1; SMN2LMNATSHRHTTHRH4
SCHEMBL11354869 0.85 HTT (0.51) SMN1; SMN2LMNATSHRHTTHRH4
SCHEMBL11361030 0.83 HTT (0.46) SMN1; SMN2LMNAMEN1KMT2AHTT
SCHEMBL11360400 0.82 PKM (0.49) SMN1; SMN2LMNAMEN1KMT2AHTT
SCHEMBL11360405 0.82 PKM (0.49) SMN1; SMN2LMNAMEN1KMT2AHTT
SCHEMBL11363237 0.80 SMN1; SMN2 (0.44) SMN1; SMN2CYP3A4CYP2D6LMNATSHR
SCHEMBL11363240 0.80 SMN1; SMN2 (0.44) SMN1; SMN2CYP3A4CYP2D6LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293699-A CONTAINING A BENZIMIDAZOLE OR 3-/5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE, ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 — — US disclosed
US-4287198-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-09-01 — — US disclosed
US-4228291-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-14 — — US disclosed
US-4154844-A ANTIHISTAMINE, GASTRIC JUICE ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 — — US disclosed
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 — — US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 — — US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 — — US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 — — US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 — — US disclosed
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