SCHEMBL335290

SCHEMBL335290

CCCCc1ccc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
FOLR2 P14207 1/20 0.40
FOLR1 P15328 1/20 0.40
GART P22102 1/20 0.40
SLC19A1 P41440 1/20 0.40
SLC46A1 Q96NT5 1/20 0.40
TUBB4A P04350 5/20 0.40
TUBB P07437 5/20 0.40
TUBA3C P0DPH7 5/20 0.40
TUBA1B P68363 5/20 0.40
TUBA4A P68366 5/20 0.40
TUBB4B P68371 5/20 0.40
TUBB3 Q13509 5/20 0.40
TUBB2A Q13885 5/20 0.40
TUBB8 Q3ZCM7 5/20 0.40
TUBA3E Q6PEY2 5/20 0.40
TUBA1A Q71U36 5/20 0.40
TUBA1C Q9BQE3 5/20 0.40
TUBB6 Q9BUF5 5/20 0.40
TUBB2B Q9BVA1 5/20 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
SCHEMBL335909 0.89 HDAC3 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL336014 0.84 ABL1 (0.41) MAPTHDAC6F7F3TRPV1
SCHEMBL335501 0.82 NPC1 (0.43) HDAC3HDAC1HDAC8MAPTPKM
SCHEMBL336443 0.81 SMN1; SMN2 (0.43) KDM4EMAPT
SCHEMBL335834 0.81 RAB9A (0.42) HDAC1HDAC8KDM4EMEN1ALDH1A1
SCHEMBL335576 0.80 ABL1 (0.43) LMNAKDM4EALDH1A1MAPTTDP1
SCHEMBL336039 0.80 DHFR (0.41) MAPTF7F3
SCHEMBL335551 0.79 KDM4E (0.43) KDM4EMEN1MAPTKMT2AHDAC2
SCHEMBL15282285 0.79 ACP1 (0.46) LMNAKDM4EMEN1ALDH1A1MAPT
SCHEMBL15282212 0.79 ACP1 (0.46) LMNAKDM4EMEN1ALDH1A1MAPT

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-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US claimed