SCHEMBL9844706

SCHEMBL9844706

Cc1c2n(c3ccccc13)CCC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
RECQL P46063 1/20 0.60
MAPT P10636 1/20 0.57
PABPC1 P11940 1/20 0.49
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
SMARCA4 P51532 6/20 0.43
PBRM1 Q86U86 3/20 0.41
PDE5A O76074 3/20 0.40
TP53 P04637 1/20 0.40
CREBBP Q92793 1/20 0.40
TERT O14746 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL10725922 0.90 KDM4E (0.54) KDM4ERECQLMAPTPABPC1HTR2A
SCHEMBL18202181 0.79 PABPC1 (0.49) KDM4ERECQLMAPTPABPC1SMARCA4
SCHEMBL18202213 0.79 PABPC1 (0.49) KDM4ERECQLMAPTPABPC1HTR2A
SCHEMBL19960975 0.79 PABPC1 (0.45) KDM4ERECQLMAPTPABPC1HTR2A
SCHEMBL9735614 0.77 ACHE (0.41) KDM4ERECQLMAPTPABPC1TP53
SCHEMBL15349503 0.77 PARP1 (0.56) KDM4ERECQLMAPTHTR2AHTR2C
SCHEMBL9736655 0.75 KDM4E (0.37) KDM4ERECQLMAPTPABPC1TP53
SCHEMBL10726825 0.74 KDM4E (0.48) KDM4ERECQLMAPTHTR2AHTR2C
SCHEMBL18202172 0.73 HTR2A (0.55) KDM4ERECQLMAPTHTR2AHTR2C
SCHEMBL11009068 0.73 KDM4E (0.47) KDM4ERECQLMAPTHTR2AHTR2C

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
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP disclosed
US-4778812-A ANTIHYPOXIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-18 US disclosed