SCHEMBL19985155

SCHEMBL19985155

CCc1nc2ccccc2n1Cc1ccc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.68
▸ TSHR P16473 3/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ VDR P11473 1/20 0.61
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ RECQL P46063 1/20 0.56
▸ HTR3A P46098 1/20 0.55
▸ LMNA P02545 3/20 0.54
▸ HTT P42858 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ TP53 P04637 3/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL10089254 0.86 VDR (0.61) RAB9ATSHRMAPK1VDRMEN1
SCHEMBL6361819 0.83 RAB9A (0.78) RAB9ATSHRMAPK1MEN1KMT2A
SCHEMBL8366844 0.82 RAB9A (0.76) RAB9ATSHRMAPK1MEN1KMT2A
SCHEMBL8366932 0.82 RAB9A (0.76) RAB9ATSHRMAPK1MEN1KMT2A
SCHEMBL7259937 0.81 RAB9A (0.74) RAB9ATSHRMAPK1MEN1KMT2A
SCHEMBL9682433 0.77 TBXA2R (0.77) —
SCHEMBL2900203 0.76 MEN1 (0.66) RAB9ATSHRMAPK1MEN1KMT2A
SCHEMBL10443449 0.76 RAB9A (0.66) RAB9ATSHRMAPK1MEN1KMT2A
SCHEMBL9681443 0.76 TBXA2R (0.61) TSHRMAPK1VDR
SCHEMBL10443451 0.75 RAB9A (0.64) RAB9ATSHRMAPK1MEN1KMT2A

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
EP-2944310-B1 MIF inhibitors for the acute or chronic treatment of pulmonary hypertension MIFCARE (FR) 2018-03-21 — — EP disclosed
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