SCHEMBL9799796

SCHEMBL9799796

[C-]#[N+]C(CC)(CCCc1ccc(OC)c(OC)c1)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ ATM Q13315 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ EBP Q15125 2/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL9799313 0.89 TUBB4A (0.38) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL9799824 0.81 NPC1 (0.35) CYP1A2MEN1CYP2C9CYP2C19KMT2A
SCHEMBL9799267 0.79 CYP3A4 (0.46) ALDH1A1ATMKDM4ESMN1; SMN2CYP1A2
SCHEMBL9799541 0.77 PTGS2 (0.39) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL9833569 0.72 TUBB4A (0.35) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL16382429 0.68 ATM (0.58) ATMKDM4ECYP1A2CYP3A4KMT2A
SCHEMBL9799522 0.67 TUBB4A (0.39) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9799232 0.67 OPRM1 (0.40) ALDH1A1SMN1; SMN2CYP1A2CYP3A4MEN1
SCHEMBL9830311 0.67 CYP1A2 (0.40) ALDH1A1ATMKDM4ESMN1; SMN2CYP1A2
SCHEMBL6986357 0.67 ALDH1A1 (0.61) ALDH1A1ATMKDM4ECYP1A2CYP3A4

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
EP-0298703-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-03-06 — — EP disclosed
US-4946862-A Thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1990-08-07 — — US disclosed
EP-0298703-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-11 — — EP disclosed
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