SCHEMBL18905968

SCHEMBL18905968

COc1cc(C)c2nnsc2c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32
TUBA1A Q71U36 2/20 0.32
TUBA1C Q9BQE3 2/20 0.32
TUBB6 Q9BUF5 2/20 0.32
TUBB2B Q9BVA1 2/20 0.32
TUBB1 Q9H4B7 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL18905965 0.74
SCHEMBL21969715 0.72
SCHEMBL25647666 0.71 TAAR1 (0.33) TAAR1MAPTNPC1LMNAPOLB
SCHEMBL5532426 0.69 HTT (0.61) TAAR1MAPTPOLB
SCHEMBL29569179 0.68 KDM4E (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5532430 0.68 HPGD (0.38) MAPTLMNA
SCHEMBL18905959 0.67
SCHEMBL29569275 0.66 CYP1A1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2954181 0.66 TAAR1 (0.56) TAAR1MAPTPOLB
SCHEMBL19229151 0.66

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-20170155053-A1 Molecular and Polymeric Semiconductors and Related Devices USINVEST LLC 2017-06-01 US disclosed