SCHEMBL10875080

SCHEMBL10875080

C=CN(c1ccc(C)cc1)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.41
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40
▸ TUBA1A Q71U36 1/20 0.40
▸ TUBA1C Q9BQE3 1/20 0.40
▸ TUBB6 Q9BUF5 1/20 0.40
▸ TUBB2B Q9BVA1 1/20 0.40
▸ TUBB1 Q9H4B7 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP2A6 P11509 2/20 0.37

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
SCHEMBL10746637 0.86 SIGMAR1 (0.45) SIGMAR1TUBB4ATUBBTUBA3CSTAT3
SCHEMBL11705364 0.84 SIGMAR1 (0.43) SIGMAR1TUBB4ATUBBTUBA3CSTAT3
SCHEMBL11707750 0.80 CYP2A6 (0.48) SIGMAR1TUBB4ATUBBTUBA3CSTAT3
SCHEMBL17975828 0.80 C5AR1 (0.37) SIGMAR1ALDH1A1KMT2AC5AR1
SCHEMBL12637384 0.78 SIGMAR1 (0.40) SIGMAR1ALDH1A1KMT2ACYP2A6CYP1A2
SCHEMBL12744254 0.78 SIGMAR1 (0.47) SIGMAR1ALDH1A1KMT2ACYP2A6CYP1A2
SCHEMBL4895717 0.78 SIGMAR1 (0.47) SIGMAR1ALDH1A1KMT2ACYP2A6CYP1A2
SCHEMBL452290 0.78 SIGMAR1 (0.47) SIGMAR1ALDH1A1KMT2ACYP2A6CYP1A2
SCHEMBL12744248 0.78 SIGMAR1 (0.47) SIGMAR1ALDH1A1KMT2ACYP2A6CYP1A2
SCHEMBL4977548 0.78 SIGMAR1 (0.47) SIGMAR1ALDH1A1KMT2ACYP2A6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4040970-A WITH COPOLYMER FOR RENDERING THE TONER NEGATIVELY CHARGEABLE CANON KABUSHIKI KAISHA (JA) 1977-08-09 — — US claimed
EP-0091039-B1 ANTI-FOULING AGENT Nitto Kasei Co., Ltd. (JP) 1986-10-01 — — EP disclosed
US-4526932-A Copolymer containing N-coordinated triorganotin compound NITTO KASEI CO., LTD. (JP) 1985-07-02 — — US disclosed
US-4040970-A WITH COPOLYMER FOR RENDERING THE TONER NEGATIVELY CHARGEABLE CANON KABUSHIKI KAISHA (JA) 1977-08-09 — — US disclosed
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