SCHEMBL3249200

SCHEMBL3249200

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(Sc4ccccc4)cc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 6/20 0.41
TUBB P07437 6/20 0.41
TUBA3C P0DPH7 6/20 0.41
TUBA1B P68363 6/20 0.41
TUBA4A P68366 6/20 0.41
TUBB4B P68371 6/20 0.41
TUBB3 Q13509 6/20 0.41
TUBB2A Q13885 6/20 0.41
TUBB8 Q3ZCM7 6/20 0.41
TUBA3E Q6PEY2 6/20 0.41
TUBA1A Q71U36 6/20 0.41
TUBA1C Q9BQE3 6/20 0.41
TUBB6 Q9BUF5 6/20 0.41
TUBB2B Q9BVA1 6/20 0.41
TUBB1 Q9H4B7 6/20 0.41
CSF1R P07333 1/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GABRA1 P14867 1/20 0.36
GABRB1 P18505 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
SCHEMBL3250516 0.91 TUBB4A (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3245415 0.89 CHEK1 (0.39) HPGDALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3256086 0.89 KDR (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3263920 0.88 DAO (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3252380 0.85 CSF1R (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL3250729 0.85 ALDH1A1 (0.34) CSF1RHPGDALDH1A1GABRA1GABRB1
SCHEMBL3253148 0.84 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3245331 0.83 GABRA1 (0.45) CSF1RGABRA1GABRB1GABRA3GABRB2
SCHEMBL3254675 0.83 ALDH1A1 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3255154 0.83 IP6K1 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed