SCHEMBL9744095

SCHEMBL9744095

CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)OCC4=C(C(=O)O)N5C(=O)[C@@H](NC(=O)/C=N\OCc6csc(N)n6)[C@H]5SC4)cn1c23

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 7/20 0.47
TUBB P07437 7/20 0.47
TUBA3C P0DPH7 7/20 0.47
TUBA1B P68363 7/20 0.47
TUBA4A P68366 7/20 0.47
TUBB4B P68371 7/20 0.47
TUBB3 Q13509 7/20 0.47
TUBB2A Q13885 7/20 0.47
TUBB8 Q3ZCM7 7/20 0.47
TUBA3E Q6PEY2 7/20 0.47
TUBA1A Q71U36 7/20 0.47
TUBA1C Q9BQE3 7/20 0.47
TUBB6 Q9BUF5 7/20 0.47
TUBB2B Q9BVA1 7/20 0.47
TUBB1 Q9H4B7 7/20 0.47
HDAC1 Q13547 7/20 0.47
HDAC2 Q92769 7/20 0.47
HDAC6 Q9UBN7 7/20 0.47
HDAC3 O15379 6/20 0.47
HDAC4 P56524 6/20 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
SCHEMBL10588429 0.87 KDM4E (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Trifluoroacetic Acid SCHEMBL9844206 0.86 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9744163 0.83 DRD3 (0.44) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9744694 0.80 KDM4E (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9548111 0.80 KDM4E (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10378457 0.79 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9745378 0.79 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL10914907 0.76 MAPT (0.64) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9745004 0.73 NR1I2 (0.62) ALDH1A1HSD17B10ALBHRH3POLB
SCHEMBL30229691 0.73 NR1I2 (0.62) ALDH1A1HSD17B10ALBHRH3POLB

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
US-5147871-A Anti-bacterial cephalosporin compounds HOFFMANN LA-ROCHE, INC. (US) 1992-09-15 US disclosed