SCHEMBL28039736

SCHEMBL28039736

Fc1ccc(Br)cc1[C](c1cc[nH]n1)C1CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TP53 P04637 2/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL1173515 0.70 DGAT1 (0.38) MAPTALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL1173693 0.68 DGAT1 (0.44) MAPTALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL23535662 0.66 DGAT1 (0.35) MAPTALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL30476277 0.66 DGAT1 (0.35) MAPTALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL18547956 0.64 HTR3E (0.44) HPGDKMT2ASMN1; SMN2TP53LMNA
SCHEMBL873620 0.63 ALDH1A1 (0.42) MAPTALDH1A1HPGDKMT2ATP53
SCHEMBL181200 0.60 ALDH1A1 (0.52) MAPTALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL29401981 0.60 ALDH1A1 (0.52) MAPTALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL18554588 0.60 HSD11B1 (0.48) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL17224629 0.60 HSD17B14 (0.38) ALDH1A1HPGD

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
CN-103097389-B 4, 7-dihydro-pyrazolo [1,5-a ] pyrazin-6-ylamine derivatives as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2015-10-14 — — CN disclosed
Send feedback