SCHEMBL3686384

SCHEMBL3686384

COc1ccc(C(=O)C=Cc2cc(-c3ccccc3C)ccc2N2CCN(C)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40

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
SCHEMBL3688311 0.93 CPS1 (0.44) CPS1MEN1LMNAHPGDKMT2A
SCHEMBL14280887 0.92 LMNA (0.48) CPS1MEN1LMNAHPGDKMT2A
SCHEMBL3694917 0.92 LMNA (0.48) CPS1MEN1LMNAHPGDKMT2A
SCHEMBL3688233 0.90 TUBB4A (0.43) MEN1LMNAHPGDKMT2AALDH1A1
SCHEMBL3686383 0.90 TUBB4A (0.43) MEN1LMNAHPGDKMT2AALDH1A1
SCHEMBL3693494 0.89 LMNA (0.45) CPS1MEN1LMNAHPGDKMT2A
SCHEMBL3688857 0.88 CPS1 (0.48) CPS1MEN1LMNAHPGDKMT2A
SCHEMBL3686269 0.88 CPS1 (0.46) CPS1MEN1LMNAHPGDKMT2A
SCHEMBL3686542 0.87 CPS1 (0.45) CPS1MEN1LMNAHPGDKMT2A
SCHEMBL3686775 0.87 CPS1 (0.47) CPS1MEN1LMNAHPGDKMT2A

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
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US claimed
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed