SCHEMBL19104649

SCHEMBL19104649

Cc1ccc(C)c2nc(F)cnc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
CYP2A6 P11509 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2B6 P20813 2/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL28250830 0.75 ADORA3 (0.42) LMNACYP1A2MEN1KMT2A
SCHEMBL27408515 0.75 PRMT5 (0.40) CYP2C19LMNACYP1A2MEN1KMT2A
SCHEMBL9976523 0.72 NOS3 (0.35) CCR1CCR5LMNACYP1A2KMT2A
SCHEMBL28164470 0.68 KMT2A (0.44) CCR1CCR5CCR8CYP3A4LMNA
SCHEMBL19104633 0.67 MBOAT4 (0.31)
SCHEMBL21941202 0.67 MAPK1 (0.37)
SCHEMBL19104634 0.67
SCHEMBL13963490 0.66 MAPT (0.52) CCR1CCR5LMNACYP1A2KMT2A
SCHEMBL812697 0.66 CCR1 (0.50) CCR1CCR5CCR8CYP3A4LMNA
SCHEMBL19104652 0.66 CYP3A4 (0.34) CCR1CCR5CCR8CYP2A6CYP3A4

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-20170200892-A1 FIELD-EFFECT TRANSISTORS BASED ON MACROSCOPICALLY ORIENTED POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-13 US disclosed
US-20170200892-A1 FIELD-EFFECT TRANSISTORS BASED ON MACROSCOPICALLY ORIENTED POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-13 US disclosed