SCHEMBL30994987

SCHEMBL30994987

Fc1cncc(Cl)c1-c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 17/20 0.40
▸ KLKB1 P03952 14/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ F2 P00734 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ KLK1 P06870 1/20 0.36
▸ NOTUM Q6P988 2/20 0.36
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35

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
SCHEMBL31174045 1.00 F11 (0.40) F11KLKB1CYP3A4F2F10
SCHEMBL31174070 0.93 F11 (0.40) F11KLKB1CYP3A4F2F10
SCHEMBL31174067 0.86 NOTUM (0.39) F11KLKB1CYP3A4NOTUM
SCHEMBL30995030 0.83 F11 (0.44) F11KLKB1CYP3A4F2F10
SCHEMBL30995047 0.83 F11 (0.44) F11KLKB1CYP3A4F2F10
SCHEMBL30995055 0.81 F11 (0.40) F11KLKB1CYP3A4F2F10
SCHEMBL30995013 0.81 F11 (0.40) F11KLKB1CYP3A4F2F10
SCHEMBL30995056 0.81 F11 (0.39) F11KLK1NOTUMGABRA2GABRB2
SCHEMBL31234767 0.79 NOTUM (0.41) F11KLKB1CYP3A4F2F10
SCHEMBL31174046 0.76 NOTUM (0.43) F11KLKB1CYP3A4NOTUM

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-118126046-A Substituted macrocyclic compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-06-04 — — CN disclosed
Send feedback