SCHEMBL9305638

SCHEMBL9305638

CCCCCCc1ccc2[nH]c(Br)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.47
S1PR1 P21453 2/20 0.47
S1PR5 Q9H228 2/20 0.47
TLR8 Q9NR97 5/20 0.44
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 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

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
SCHEMBL9305648 0.88 S1PR4 (0.60) S1PR4S1PR1S1PR5TLR8TUBB4A
SCHEMBL28878992 0.84 POLB (0.50) S1PR4S1PR1S1PR5KDM4E
SCHEMBL11416418 0.84 S1PR4 (0.48) S1PR4S1PR1S1PR5TLR8HTR1A
SCHEMBL9305960 0.82 S1PR4 (0.47) S1PR4S1PR1S1PR5TLR8HTR1A
SCHEMBL12348255 0.82 S1PR4 (0.49) S1PR4S1PR1S1PR5TLR8
SCHEMBL12348250 0.81 S1PR4 (0.45) S1PR4S1PR1S1PR5TLR8TUBB4A
SCHEMBL14519982 0.79 TUBB4A (0.51) S1PR4S1PR1S1PR5TUBB4ATUBB
SCHEMBL26554639 0.78 TLR8 (0.52) S1PR4S1PR1S1PR5TLR8HTR1A
SCHEMBL17702654 0.77 TUBB4A (0.44) S1PR4S1PR1S1PR5HTR1ATUBB4A
SCHEMBL8620324 0.77 GAA (0.55) KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed