SCHEMBL21386360

SCHEMBL21386360

C=C(C)Nc1ccc(CC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.52
▸ RAB9A P51151 8/20 0.50
▸ GRIN2D O15399 1/20 0.50
▸ GRIN3B O60391 1/20 0.50
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2A Q12879 1/20 0.50
▸ GRIN2B Q13224 1/20 0.50
▸ GRIN2C Q14957 1/20 0.50
▸ GRIN3A Q8TCU5 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ NPC1 O15118 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL19825999 0.83 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL17244567 0.81 SMYD3 (0.45) —
SCHEMBL13802232 0.80 RXFP1 (0.59) SRCRAB9ANPC1SMN1; SMN2HDAC3
SCHEMBL155297 0.78 RAB9A (0.64) SRCRAB9ANPC1SMN1; SMN2HDAC3
SCHEMBL10668382 0.78 SRC (0.52) SRCRAB9AGRIN2DGRIN3BGRIN1
SCHEMBL10092552 0.78 RAB9A (0.58) SRCRAB9AGRIN2DGRIN3BGRIN1
SCHEMBL13536799 0.78 GAA (0.46) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL19889897 0.78 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AALDH1A1MEN1MAPT
SCHEMBL2303356 0.77 SRC (0.59) SRCRAB9ANPC1SMN1; SMN2HDAC3
SCHEMBL22839761 0.76 TSHR (0.45) SMN1; SMN2KMT2APOLBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3904450-A1 COMPOSITION AND MOLDED ARTICLE Akita University (JP) 2021-11-03 — — EP disclosed
WO-2020247872-A1 T-CELL DEPLETING THERAPIES Magenta Therapeutics, Inc. (US) 2020-12-10 — — WO disclosed
WO-2020113188-A2 METHODS FOR DOSING AND TREATMENT OF B CELL MALIGNANCIES IN ADOPTIVE CELL THERAPY JUNO THERAPEUTICS, INC. (US) 2020-06-04 — — WO disclosed
EP-2739139-B1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME UNIV NAT TAIWAN (TW) 2019-09-25 — — EP disclosed
Send feedback